(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid

C15H20N2O5 — CID 141307772

IUPAC(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(=O)c1cccn(CC(=O)N[C@@H](CC(C)C)C(=O)O)c1=O
InChIInChI=1S/C15H20N2O5/c1-9(2)7-12(15(21)22)16-13(19)8-17-6-4-5-11(10(3)18)14(17)20/h4-6,9,12H,7-8H2,1-3H3,(H,16,19)(H,21,22)/t12-/m0/s1
InChIKeyGPPIWMPWFSXEHG-LBPRGKRZSA-N
MW308.33 g/mol
LogP0.67
Rot. Bonds7

About (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 141307772) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
PubChem CID141307772
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(=O)c1cccn(CC(=O)N[C@@H](CC(C)C)C(=O)O)c1=O
InChIInChI=1S/C15H20N2O5/c1-9(2)7-12(15(21)22)16-13(19)8-17-6-4-5-11(10(3)18)14(17)20/h4-6,9,12H,7-8H2,1-3H3,(H,16,19)(H,21,22)/t12-/m0/s1
InChIKeyGPPIWMPWFSXEHG-LBPRGKRZSA-N
XLogP0.67
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-(1-methyl-6-oxo-3-pyridinyl)ethyl]amino]pentanoic acid
CID 57970531
3-[2-(3-Acetamido-5-methyl-2-oxo-1-pyridinyl)butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 87113489
2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;1-methyl-2H-pyridine-3-carboxamide
CID 67470228
(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;1-methyl-2H-pyridine-3-carboxamide
CID 67470229
(2S,3R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 69473959
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 69473962
2-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
CID 69474466
(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 69474690
(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 69475542
(2S,3R)-2-[(1-butyl-5-ethyl-6-methyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 71179336
(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
CID 119362151
(2R)-2-[[5-[(Z)-5-(2-oxo-1-pyridinyl)pent-1-enyl]cyclohexa-1,3-diene-1-carbonyl]amino]propanoic acid
CID 138465565

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid (CID 141307772) is (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid is CC(=O)c1cccn(CC(=O)N[C@@H](CC(C)C)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is GPPIWMPWFSXEHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9(2)7-12(15(21)22)16-13(19)8-17-6-4-5-11(10(3)18)14(17)20/h4-6,9,12H,7-8H2,1-3H3,(H,16,19)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 141307772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).