3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid

C15H20N2O4 — CID 119169921

IUPAC3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-8(2)12(15(20)21)17-14(19)10-7-9-5-3-4-6-11(9)16-13(10)18/h7-8,12H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyANWDTQDSROPENP-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.09
Rot. Bonds4

About 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid

3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid (PubChem CID 119169921) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
PubChem CID119169921
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-8(2)12(15(20)21)17-14(19)10-7-9-5-3-4-6-11(9)16-13(10)18/h7-8,12H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyANWDTQDSROPENP-UHFFFAOYSA-N
XLogP1.09
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]pentanoic acid
CID 119194079
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
(E)-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]hex-4-enoic acid
CID 120692535
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95232496
2-oxo-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 91761150
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51498116
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
N-(2-hydroxy-2,3-dimethylpentyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111477834
N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119591704
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid (CID 119169921) is 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid?
The InChIKey is ANWDTQDSROPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8(2)12(15(20)21)17-14(19)10-7-9-5-3-4-6-11(9)16-13(10)18/h7-8,12H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid?
3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119169921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).