cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO3 — CID 114091666

IUPACcis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-9-5-7-10(8-6-9)15-13(16)11-3-2-4-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m1/s1
InChIKeyUXDYGWNPTLHLRP-HCWSGVFWSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds3

About cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114091666) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114091666
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-9-5-7-10(8-6-9)15-13(16)11-3-2-4-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,10?,11-,12+/m1/s1
InChIKeyUXDYGWNPTLHLRP-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-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid
CID 129146280
trans-methyl (1R,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclobutane-1-carboxylate
CID 58817702
2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103062497
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978293
2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978117
2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 17376897
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
cis-(1S,2R)-2-[(3-methylsulfanylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114122622

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114091666) is cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1CCC(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is UXDYGWNPTLHLRP-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-5-7-10(8-6-9)15-13(16)11-3-2-4-12(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-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-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-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).