3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C11H14N2O4 — CID 54898737

IUPAC3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O4/c1-2-13(6-5-10(15)16)11(17)8-3-4-9(14)12-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyQDRMUKBHTRORLK-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.31
Rot. Bonds5

About 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 54898737) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID54898737
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O4/c1-2-13(6-5-10(15)16)11(17)8-3-4-9(14)12-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyQDRMUKBHTRORLK-UHFFFAOYSA-N
XLogP0.31
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60989966
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 63651939
N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43243457
N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 79471117
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 28830720
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 54898737) is 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is QDRMUKBHTRORLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-13(6-5-10(15)16)11(17)8-3-4-9(14)12-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54898737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).