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

C14H23NO3 — CID 781729

IUPACcis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H23NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyWFIVKODHWKTHAC-NWDGAFQWSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds3

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

cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 781729) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID781729
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H23NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyWFIVKODHWKTHAC-NWDGAFQWSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohexanecarboxylic acid
CID 17376897
2-(2,2,6,6-Tetramethyl-piperidin-4-ylcarbamoyl)-cyclohexanecarboxylic acid
CID 649490
2-[(Cyclohexylamino)carbonyl]cyclohexanecarboxylic acid
CID 2844955
2-[(2-Adamantylamino)carbonyl]cyclohexanecarboxylic acid
CID 6467277
2-{N-[3-(2-oxopyrrolidinyl)propyl]carbamoyl}cyclohexanecarboxylic acid
CID 17379030
N-(2-mercapto ethyl) hexahydrophthalamic acid
CID 17977486
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
Cis-2-(Carboxymethyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375195
1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
CID 4413147
Cis-N-(dodecyl)hexahydrophthalamic acid
CID 45049631
2-[(2,6-Dimethylpiperidin-1-yl)carbonyl]cyclohexanecarboxylic acid
CID 2838248

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid (CID 781729) is cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is WFIVKODHWKTHAC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(cyclohexylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 781729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).