3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

C12H16N2O5 — CID 114226921

IUPAC3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCCOC(CNC(=O)c1c[nH]ccc1=O)CC(=O)O
InChIInChI=1S/C12H16N2O5/c1-2-19-8(5-11(16)17)6-14-12(18)9-7-13-4-3-10(9)15/h3-4,7-8H,2,5-6H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyLQBRDEBGTZCUSR-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.02
Rot. Bonds7

About 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 114226921) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID114226921
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCCOC(CNC(=O)c1c[nH]ccc1=O)CC(=O)O
InChIInChI=1S/C12H16N2O5/c1-2-19-8(5-11(16)17)6-14-12(18)9-7-13-4-3-10(9)15/h3-4,7-8H,2,5-6H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyLQBRDEBGTZCUSR-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

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Related Compounds

N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid
CID 114038729
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021
3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 114038732
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethoxybutanoic acid
CID 114226939
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 114038720
N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106308005
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 114226921) is 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is CCOC(CNC(=O)c1c[nH]ccc1=O)CC(=O)O.
What is the InChIKey of 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is LQBRDEBGTZCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-19-8(5-11(16)17)6-14-12(18)9-7-13-4-3-10(9)15/h3-4,7-8H,2,5-6H2,1H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic 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 3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114226921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).