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Beta amino acids and derivatives
Description:
Amino acids having a (-NH2) group attached to the beta carbon atom.
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Methyl1-(aminomethyl)cyclohexane-1-carboxylatehydrochlorideCas Number: 227203-36-3 Compound CID: 43811191Formula: C9H18ClNO2 Molecular Weight: 207.7IUPAC Name: methyl 1-(aminomethyl)cyclohexane-1-carboxylate;hydrochlorideSMILES: COC(=O)C1(CCCCC1)CN.ClInChIKey: MJTJGUAHTHRKHJ-UHFFFAOYSA-NInChI: InChI=1S/C9H17NO2.ClH/c1-12-8(11)9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H -
Methyl 3-amino-2-methylpropanoate hydrochlorideCas Number: 88512-06-5 Compound CID: 13063725Formula: C5H12ClNO2 Molecular Weight: 153.61IUPAC Name: methyl 3-amino-2-methylpropanoate;hydrochlorideSMILES: CC(CN)C(=O)OC.ClInChIKey: RVPWGKBKRYTOHJ-UHFFFAOYSA-NInChI: InChI=1S/C5H11NO2.ClH/c1-4(3-6)5(7)8-2;/h4H,3,6H2,1-2H3;1H
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Methyl 3-amino-2-(aminomethyl)propanoate dihydrochlorideCas Number: 440644-06-4 Compound CID: 71720940Formula: C5H14Cl2N2O2 Molecular Weight: 205.08IUPAC Name: methyl 3-amino-2-(aminomethyl)propanoate;dihydrochlorideSMILES: COC(=O)C(CN)CN.Cl.ClInChIKey: HMNGKCBLTQUNTN-UHFFFAOYSA-NInChI: InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(2-6)3-7;;/h4H,2-3,6-7H2,1H3;2*1H
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Methyl 3-Amino-3-(3-pyridyl)propionateCas Number: 129042-89-3 Compound CID: 11469425Formula: C9H12N2O2 Molecular Weight: 180.2IUPAC Name: methyl 3-amino-3-pyridin-3-ylpropanoateSMILES: COC(=O)CC(C1=CN=CC=C1)NInChIKey: PNXGVJAVPWMYRQ-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O2/c1-13-9(12)5-8(10)7-3-2-4-11-6-7/h2-4,6,8H,5,10H2,1H3
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Methyl 3-(Cyclopropylamino)propanoateCas Number: 77497-84-8 Compound CID: 13041902Formula: C7H13NO2 Molecular Weight: 143.18IUPAC Name: methyl 3-(cyclopropylamino)propanoateSMILES: COC(=O)CCNC1CC1InChIKey: IXRSFGOAMNXZBZ-UHFFFAOYSA-NInChI: InChI=1S/C7H13NO2/c1-10-7(9)4-5-8-6-2-3-6/h6,8H,2-5H2,1H3
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H-β-HoVal-OH.HClCas Number: 402587-64-8 EC Number: 868-233-8Formula: C6H14ClNO2 Molecular Weight: 167.63IUPAC Name: (3S)-3-amino-4-methylpentanoic acid;hydrochlorideSMILES: CC(C)C(CC(=O)O)N.ClInChIKey: SLNFFBWDHRKWCB-JEDNCBNOSA-NInChI: InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)3-6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t5-;/m0./s1
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Ethyl 3-(isopropylamino)propanoateCas Number: 16217-22-4 Compound CID: 12636111Formula: C8H18ClNO2 Molecular Weight: 195.69IUPAC Name: ethyl 3-(propan-2-ylamino)propanoateSMILES: CCOC(=O)CCNC(C)CInChIKey: BGEHOKVPALSAIX-UHFFFAOYSA-NInChI: InChI=1S/C8H17NO2/c1-4-11-8(10)5-6-9-7(2)3/h7,9H,4-6H2,1-3H3
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Ethyl 3-(Phenylamino)propanoateCas Number: 62750-11-2 Compound CID: 10910393Formula: C11H15NO2 Molecular Weight: 193.24IUPAC Name: ethyl 3-anilinopropanoateSMILES: CCOC(=O)CCNC1=CC=CC=C1InChIKey: TXEPQFCHHDFYMO-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
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Ethyl 3-Amino-2，2-difluoropropanoate HydrochlorideCas Number: 1263284-04-3 Compound CID: 49853527Formula: C5H10ClF2NO2 Molecular Weight: 189.59IUPAC Name: ethyl 3-amino-2,2-difluoropropanoate;hydrochlorideSMILES: CCOC(=O)C(CN)(F)F.ClInChIKey: NLRVBXSWRFLJRV-UHFFFAOYSA-NInChI: InChI=1S/C5H9F2NO2.ClH/c1-2-10-4(9)5(6,7)3-8;/h2-3,8H2,1H3;1H
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7-Phenyl-[1，4]diazepan-5-oneCas Number: 89044-79-1 Compound CID: 13048235Formula: C11H14N2O Molecular Weight: 190.25IUPAC Name: 7-phenyl-1,4-diazepan-5-oneSMILES: C1CNC(=O)CC(N1)C2=CC=CC=C2InChIKey: UATUVKKDKVFGGB-UHFFFAOYSA-NInChI: InChI=1S/C11H14N2O/c14-11-8-10(12-6-7-13-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
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4-(2-(Dimethylamino)ethyl)-1，4-diazepan-5-oneCas Number: 344779-07-3 Compound CID: 3362131Formula: C9H19N3O Molecular Weight: 185.27IUPAC Name: 4-[2-(dimethylamino)ethyl]-1,4-diazepan-5-oneSMILES: CN(C)CCN1CCNCCC1=OInChIKey: NEYJQNBUBDIATQ-UHFFFAOYSA-NInChI: InChI=1S/C9H19N3O/c1-11(2)7-8-12-6-5-10-4-3-9(12)13/h10H,3-8H2,1-2H3
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3-Amino-N，N-dimethylpropanamideCas Number: 1857-18-7 Compound CID: 12742480Formula: C5H12N2O Molecular Weight: 116.16IUPAC Name: 3-amino-N,N-dimethylpropanamideSMILES: CN(C)C(=O)CCNInChIKey: JNDIDJUNNCBHTI-UHFFFAOYSA-NInChI: InChI=1S/C5H12N2O/c1-7(2)5(8)3-4-6/h3-4,6H2,1-2H3
