(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid

C18H20N2O4 — CID 97338787

IUPAC(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
SMILESC[C@@H](CCC(=O)O)NC(=O)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O4/c1-13(9-10-16(21)22)19-17(23)15-8-5-11-20(18(15)24)12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,19,23)(H,21,22)/t13-/m0/s1
InChIKeyBLVUKDVVPSFQAS-ZDUSSCGKSA-N
MW328.37 g/mol
LogP1.88
Rot. Bonds7

About (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid

(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 97338787) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
PubChem CID97338787
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
SMILESC[C@@H](CCC(=O)O)NC(=O)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O4/c1-13(9-10-16(21)22)19-17(23)15-8-5-11-20(18(15)24)12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,19,23)(H,21,22)/t13-/m0/s1
InChIKeyBLVUKDVVPSFQAS-ZDUSSCGKSA-N
XLogP1.88
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 48664810
(2S)-5-amino-2-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid;2,2,2-trifluoroacetic acid
CID 86622138
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
1-benzyl-N-(2,3-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 7422695
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
N-[5-(diaminomethylideneamino)pentan-2-yl]-2-oxo-1-[(2-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 143710227
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
methyl (3S)-3-[(1-benzylpyrrole-2-carbonyl)amino]butanoate
CID 95933774
(2S)-2-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]-5-(4,5-dihydro-1H-imidazol-2-ylamino)pentanoic acid
CID 25155209

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid (CID 97338787) is (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid is C[C@@H](CCC(=O)O)NC(=O)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is BLVUKDVVPSFQAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(9-10-16(21)22)19-17(23)15-8-5-11-20(18(15)24)12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,19,23)(H,21,22)/t13-/m0/s1.
What are the key properties of (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 97338787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).