2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid

C13H16N2O4 — CID 64671598

IUPAC2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C13H16N2O4/c16-10-4-3-9(8-14-10)12(19)15-13(7-11(17)18)5-1-2-6-13/h3-4,8H,1-2,5-7H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyZKJUBSDGHDUZJP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64671598) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64671598
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C13H16N2O4/c16-10-4-3-9(8-14-10)12(19)15-13(7-11(17)18)5-1-2-6-13/h3-4,8H,1-2,5-7H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyZKJUBSDGHDUZJP-UHFFFAOYSA-N
XLogP0.89
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid (CID 64671598) is 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(=O)[nH]c2)CCCC1.
What is the InChIKey of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is ZKJUBSDGHDUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-4-3-9(8-14-10)12(19)15-13(7-11(17)18)5-1-2-6-13/h3-4,8H,1-2,5-7H2,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64671598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).