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

C14H18N2O4 — CID 61014782

IUPAC2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C14H18N2O4/c17-12-10(7-4-8-15-12)13(18)16-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyKYAVTJVLGJLWIT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.14
Rot. Bonds4

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

2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 61014782) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID61014782
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C14H18N2O4/c17-12-10(7-4-8-15-12)13(18)16-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyKYAVTJVLGJLWIT-UHFFFAOYSA-N
XLogP1.14
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (CID 61014782) is 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1ccc[nH]c1=O.
What is the InChIKey of 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is KYAVTJVLGJLWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-10(7-4-8-15-12)13(18)16-11(14(19)20)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61014782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).