(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid

C13H14N2O4 — CID 138055381

IUPAC(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@@H]21)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H14N2O4/c16-11-3-6(1-2-14-11)12(17)15-10-5-9(13(18)19)7-4-8(7)10/h1-3,7-10H,4-5H2,(H,14,16)(H,15,17)(H,18,19)/t7-,8+,9-,10+/m1/s1
InChIKeyIWBAEXLGVBMLEB-RGOKHQFPSA-N
MW262.26 g/mol
LogP0.21
Rot. Bonds3

About (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid

(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 138055381) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID138055381
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@@H]21)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H14N2O4/c16-11-3-6(1-2-14-11)12(17)15-10-5-9(13(18)19)7-4-8(7)10/h1-3,7-10H,4-5H2,(H,14,16)(H,15,17)(H,18,19)/t7-,8+,9-,10+/m1/s1
InChIKeyIWBAEXLGVBMLEB-RGOKHQFPSA-N
XLogP0.21
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid with MolForge

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391
N-[(1R,2R,4S)-4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-hydroxycyclopentyl]-2-oxo-1H-pyridine-4-carboxamide
CID 157014555
N-[3-(3-fluorophenyl)cyclobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138044557
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
N-[2-(3-methylcyclohexyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765554
N-(6-oxaspiro[3.5]nonan-9-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 166260210
N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764483
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid (CID 138055381) is (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid is O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@@H]21)c1cc[nH]c(=O)c1.
What is the InChIKey of (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is IWBAEXLGVBMLEB-RGOKHQFPSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-3-6(1-2-14-11)12(17)15-10-5-9(13(18)19)7-4-8(7)10/h1-3,7-10H,4-5H2,(H,14,16)(H,15,17)(H,18,19)/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 138055381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).