2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid

C14H20N2O4 — CID 104681861

IUPAC2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCC(CCCNC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-11(14(19)20)5-4-8-15-12(17)7-10-16-9-3-2-6-13(16)18/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,15,17)(H,19,20)
InChIKeyXWUCMPKXKDAUJQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.86
Rot. Bonds8

About 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid

2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (PubChem CID 104681861) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
PubChem CID104681861
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCC(CCCNC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-11(14(19)20)5-4-8-15-12(17)7-10-16-9-3-2-6-13(16)18/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,15,17)(H,19,20)
InChIKeyXWUCMPKXKDAUJQ-UHFFFAOYSA-N
XLogP0.86
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
(2S)-4-methylsulfanyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 61152547
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 109381038
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
2-methyl-5-[3-(triazol-1-yl)propanoylamino]pentanoic acid
CID 104682582
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
4-methylsulfanyl-2-[5-(2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 82031433
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (CID 104681861) is 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is CC(CCCNC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The InChIKey is XWUCMPKXKDAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(14(19)20)5-4-8-15-12(17)7-10-16-9-3-2-6-13(16)18/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 104681861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).