(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone

C191H236N20O11 — CID 159877486

IUPAC(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN1.CC(=O)[C@H]1CCCN1.Cc1cc(C)c(N(C(=O)C2CCCN2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)cc(N(C(=O)[C@@H]2CCCN2)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(N(C(=O)[C@H]2CCCN2)c2cc(C)cc(C)c2)c1.Cc1ccc(N(C(=O)[C@@H]2CCCN2)c2ccc(C)cc2)cc1.Cc1ccc(N(C(=O)[C@H]2CCCN2)c2ccc(C)cc2)cc1.Cc1cccc(N(C(=O)[C@@H]2CCCN2)c2cccc(C)c2)c1.Cc1cccc(N(C(=O)[C@H]2CCCN2)c2cccc(C)c2)c1.Cc1ccccc1N(C(=O)[C@@H]1CCCN1)c1ccccc1C.Cc1ccccc1N(C(=O)[C@H]1CCCN1)c1ccccc1C
InChIInChI=1S/C23H30N2O.2C21H26N2O.6C19H22N2O.2C6H11NO/c1-14-10-16(3)21(17(4)11-14)25(23(26)20-8-7-9-24-20)22-18(5)12-15(2)13-19(22)6;2*1-14-8-15(2)11-18(10-14)23(21(24)20-6-5-7-22-20)19-12-16(3)9-17(4)13-19;2*1-14-6-3-8-16(12-14)21(17-9-4-7-15(2)13-17)19(22)18-10-5-11-20-18;2*1-14-8-3-5-11-17(14)21(18-12-6-4-9-15(18)2)19(22)16-10-7-13-20-16;2*1-14-5-9-16(10-6-14)21(17-11-7-15(2)8-12-17)19(22)18-4-3-13-20-18;2*1-5(8)6-3-2-4-7-6/h10-13,20,24H,7-9H2,1-6H3;2*8-13,20,22H,5-7H2,1-4H3;2*3-4,6-9,12-13,18,20H,5,10-11H2,1-2H3;2*3-6,8-9,11-12,16,20H,7,10,13H2,1-2H3;2*5-12,18,20H,3-4,13H2,1-2H3;2*6-7H,2-4H2,1H3/t;2*20-;2*18-;2*16-;2*18-;2*6-/m.1010101010/s1
InChIKeyNTCCVJNDCNLQHZ-KUBROHBTSA-N
MW2988.12 g/mol
LogP36.60
Rot. Bonds29

About (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone

(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone (PubChem CID 159877486) has the molecular formula C191H236N20O11 and a molecular weight of 2988.12 g/mol. Its IUPAC name is (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone
PubChem CID159877486
Molecular FormulaC191H236N20O11
Molecular Weight2988.12 g/mol
Exact Mass2985.85
IUPAC Name(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN1.CC(=O)[C@H]1CCCN1.Cc1cc(C)c(N(C(=O)C2CCCN2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)cc(N(C(=O)[C@@H]2CCCN2)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(N(C(=O)[C@H]2CCCN2)c2cc(C)cc(C)c2)c1.Cc1ccc(N(C(=O)[C@@H]2CCCN2)c2ccc(C)cc2)cc1.Cc1ccc(N(C(=O)[C@H]2CCCN2)c2ccc(C)cc2)cc1.Cc1cccc(N(C(=O)[C@@H]2CCCN2)c2cccc(C)c2)c1.Cc1cccc(N(C(=O)[C@H]2CCCN2)c2cccc(C)c2)c1.Cc1ccccc1N(C(=O)[C@@H]1CCCN1)c1ccccc1C.Cc1ccccc1N(C(=O)[C@H]1CCCN1)c1ccccc1C
InChIInChI=1S/C23H30N2O.2C21H26N2O.6C19H22N2O.2C6H11NO/c1-14-10-16(3)21(17(4)11-14)25(23(26)20-8-7-9-24-20)22-18(5)12-15(2)13-19(22)6;2*1-14-8-15(2)11-18(10-14)23(21(24)20-6-5-7-22-20)19-12-16(3)9-17(4)13-19;2*1-14-6-3-8-16(12-14)21(17-9-4-7-15(2)13-17)19(22)18-10-5-11-20-18;2*1-14-8-3-5-11-17(14)21(18-12-6-4-9-15(18)2)19(22)16-10-7-13-20-16;2*1-14-5-9-16(10-6-14)21(17-11-7-15(2)8-12-17)19(22)18-4-3-13-20-18;2*1-5(8)6-3-2-4-7-6/h10-13,20,24H,7-9H2,1-6H3;2*8-13,20,22H,5-7H2,1-4H3;2*3-4,6-9,12-13,18,20H,5,10-11H2,1-2H3;2*3-6,8-9,11-12,16,20H,7,10,13H2,1-2H3;2*5-12,18,20H,3-4,13H2,1-2H3;2*6-7H,2-4H2,1H3/t;2*20-;2*18-;2*16-;2*18-;2*6-/m.1010101010/s1
InChIKeyNTCCVJNDCNLQHZ-KUBROHBTSA-N
XLogP36.60
TPSA349.26 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002988.12
LogP ≤ 536.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone?
The IUPAC name of (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone (CID 159877486) is (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CCCN1.CC(=O)[C@H]1CCCN1.Cc1cc(C)c(N(C(=O)C2CCCN2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)cc(N(C(=O)[C@@H]2CCCN2)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(N(C(=O)[C@H]2CCCN2)c2cc(C)cc(C)c2)c1.Cc1ccc(N(C(=O)[C@@H]2CCCN2)c2ccc(C)cc2)cc1.Cc1ccc(N(C(=O)[C@H]2CCCN2)c2ccc(C)cc2)cc1.Cc1cccc(N(C(=O)[C@@H]2CCCN2)c2cccc(C)c2)c1.Cc1cccc(N(C(=O)[C@H]2CCCN2)c2cccc(C)c2)c1.Cc1ccccc1N(C(=O)[C@@H]1CCCN1)c1ccccc1C.Cc1ccccc1N(C(=O)[C@H]1CCCN1)c1ccccc1C.
What is the InChIKey of (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone?
The InChIKey is NTCCVJNDCNLQHZ-KUBROHBTSA-N. The full InChI is InChI=1S/C23H30N2O.2C21H26N2O.6C19H22N2O.2C6H11NO/c1-14-10-16(3)21(17(4)11-14)25(23(26)20-8-7-9-24-20)22-18(5)12-15(2)13-19(22)6;2*1-14-8-15(2)11-18(10-14)23(21(24)20-6-5-7-22-20)19-12-16(3)9-17(4)13-19;2*1-14-6-3-8-16(12-14)21(17-9-4-7-15(2)13-17)19(22)18-10-5-11-20-18;2*1-14-8-3-5-11-17(14)21(18-12-6-4-9-15(18)2)19(22)16-10-7-13-20-16;2*1-14-5-9-16(10-6-14)21(17-11-7-15(2)8-12-17)19(22)18-4-3-13-20-18;2*1-5(8)6-3-2-4-7-6/h10-13,20,24H,7-9H2,1-6H3;2*8-13,20,22H,5-7H2,1-4H3;2*3-4,6-9,12-13,18,20H,5,10-11H2,1-2H3;2*3-6,8-9,11-12,16,20H,7,10,13H2,1-2H3;2*5-12,18,20H,3-4,13H2,1-2H3;2*6-7H,2-4H2,1H3/t;2*20-;2*18-;2*16-;2*18-;2*6-/m.1010101010/s1.
What are the key properties of (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone?
(2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone has a molecular weight of 2988.12 g/mol, XLogP of 36.60, 29 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(3-methylphenyl)pyrrolidine-2-carboxamide;(2S)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;(2R)-N,N-bis(4-methylphenyl)pyrrolidine-2-carboxamide;N,N-bis(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide;1-[(2S)-pyrrolidin-2-yl]ethanone;1-[(2R)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 159877486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).