cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H14N2O4 — CID 114173175

About cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114173175) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 114173175
• Molecular Formula: C12H14N2O4
• Molecular Weight: 250.25 g/mol
• Exact Mass: 250.10
• IUPAC Name: cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(=O)[nH]1
• InChI: InChI=1S/C12H14N2O4/c15-10-3-1-2-9(14-10)11(16)13-8-5-4-7(6-8)12(17)18/h1-3,7-8H,4-6H2,(H,13,16)(H,14,15)(H,17,18)/t7-,8+/m1/s1
• InChIKey: RKTRVYGEVYEUIS-SFYZADRCSA-N
• XLogP: 0.36
• TPSA: 99.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.25
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 114173175) is cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(=O)[nH]1.

What is the InChIKey of cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is RKTRVYGEVYEUIS-SFYZADRCSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-3-1-2-9(14-10)11(16)13-8-5-4-7(6-8)12(17)18/h1-3,7-8H,4-6H2,(H,13,16)(H,14,15)(H,17,18)/t7-,8+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).