3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid

C12H16N2O4 — CID 119221242

IUPAC3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
SMILESCCOc1ncccc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-18-12-9(5-4-6-13-12)11(17)14-8(2)7-10(15)16/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOFRCRBDTIPMBRK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.07
Rot. Bonds6

About 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid

3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid (PubChem CID 119221242) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
PubChem CID119221242
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
SMILESCCOc1ncccc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-18-12-9(5-4-6-13-12)11(17)14-8(2)7-10(15)16/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOFRCRBDTIPMBRK-UHFFFAOYSA-N
XLogP1.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907
2-ethoxy-N-[1-(4-ethylphenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 18289216
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
CID 7936129
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
2-ethoxy-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 2464326
4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 138057760

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid (CID 119221242) is 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid is CCOc1ncccc1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is OFRCRBDTIPMBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-18-12-9(5-4-6-13-12)11(17)14-8(2)7-10(15)16/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid?
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).