cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C13H16N2O3 — CID 756841

IUPACcis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccn1)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C13H16N2O3/c16-12(15-11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(17)18/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyBEYYWYBNNIFKOZ-VHSXEESVSA-N
MW248.28 g/mol
LogP1.91
Rot. Bonds3

About cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 756841) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID756841
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namecis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccn1)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C13H16N2O3/c16-12(15-11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(17)18/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyBEYYWYBNNIFKOZ-VHSXEESVSA-N
XLogP1.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978891
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 756841) is cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(Nc1ccccn1)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is BEYYWYBNNIFKOZ-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(15-11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(17)18/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 756841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).