5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

C12H16N2O5 — CID 114038720

IUPAC5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1c[nH]ccc1=O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-19-6-2-3-9(12(17)18)14-11(16)8-7-13-5-4-10(8)15/h4-5,7,9H,2-3,6H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyOPQHYVMHWPIBHL-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.02
Rot. Bonds7

About 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 114038720) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
PubChem CID114038720
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1c[nH]ccc1=O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-19-6-2-3-9(12(17)18)14-11(16)8-7-13-5-4-10(8)15/h4-5,7,9H,2-3,6H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyOPQHYVMHWPIBHL-UHFFFAOYSA-N
XLogP-0.02
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
CID 81076977
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
CID 81076747
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337377

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (CID 114038720) is 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)c1c[nH]ccc1=O)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is OPQHYVMHWPIBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-19-6-2-3-9(12(17)18)14-11(16)8-7-13-5-4-10(8)15/h4-5,7,9H,2-3,6H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114038720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).