2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid

C11H14N2O4 — CID 54898998

IUPAC2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-2-6-13(7-9(14)15)11(17)8-4-3-5-12-10(8)16/h3-5H,2,6-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyGVAIGZSARYUCLP-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.31
Rot. Bonds5

About 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid

2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid (PubChem CID 54898998) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid
PubChem CID54898998
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-2-6-13(7-9(14)15)11(17)8-4-3-5-12-10(8)16/h3-5H,2,6-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyGVAIGZSARYUCLP-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

2-[propyl(1H-pyrrole-2-carbonyl)amino]acetic acid
CID 61011951
N-(3-amino-2,2-dimethylpropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79668674
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N-benzyl-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653937
2-[(2-nitrobenzoyl)-propylamino]acetic acid
CID 61012063
4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827419
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 65219302

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid (CID 54898998) is 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid?
The InChIKey is GVAIGZSARYUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-6-13(7-9(14)15)11(17)8-4-3-5-12-10(8)16/h3-5H,2,6-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid?
2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic 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 2-[(2-oxo-1H-pyridine-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 54898998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).