cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 114093102

IUPACcis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-9-6-7-10(8-9)15-13(16)11-4-2-3-5-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m1/s1
InChIKeyXNALAHQOQJKXFP-HCWSGVFWSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds3

About cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114093102) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114093102
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-9-6-7-10(8-9)15-13(16)11-4-2-3-5-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m1/s1
InChIKeyXNALAHQOQJKXFP-HCWSGVFWSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
cis-(1S,2R)-2-[(3-methylsulfanylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114122622
2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide
CID 114546167
cis-(1R,2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124714504
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978293
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 778080

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 114093102) is cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1.
What is the InChIKey of cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XNALAHQOQJKXFP-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-6-7-10(8-9)15-13(16)11-4-2-3-5-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114093102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).