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

C18H18N2O4 — CID 119368016

IUPAC(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H18N2O4/c21-16-13(10-12-8-4-5-9-14(12)19-16)17(22)20-15(18(23)24)11-6-2-1-3-7-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,19,21)(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyMDOUETPMNPRAJX-OAHLLOKOSA-N
MW326.35 g/mol
LogP1.81
Rot. Bonds4

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

(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 119368016) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID119368016
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C18H18N2O4/c21-16-13(10-12-8-4-5-9-14(12)19-16)17(22)20-15(18(23)24)11-6-2-1-3-7-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,19,21)(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyMDOUETPMNPRAJX-OAHLLOKOSA-N
XLogP1.81
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]butanoic acid
CID 119169921
N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119529374
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
(2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119367652
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
(2S,3S)-3-methyl-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]pentanoic acid
CID 119194079
N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 118425243
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51498116
2-[[1-[(4-cyanophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-phenylacetic acid
CID 67520016
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95232496
N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 96522518
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid (CID 119368016) is (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is MDOUETPMNPRAJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16-13(10-12-8-4-5-9-14(12)19-16)17(22)20-15(18(23)24)11-6-2-1-3-7-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,19,21)(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 326.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 119368016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).