2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H23NO3 — CID 119187245

IUPAC2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CC(C)(C)CCC1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-8-7-14(2,3)5-4-11(8)15-12(16)9-6-10(9)13(17)18/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUXEIXLRXNAFWRW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds3

About 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119187245) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119187245
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CC(C)(C)CCC1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-8-7-14(2,3)5-4-11(8)15-12(16)9-6-10(9)13(17)18/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUXEIXLRXNAFWRW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 119187245) is 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is CC1CC(C)(C)CCC1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UXEIXLRXNAFWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-8-7-14(2,3)5-4-11(8)15-12(16)9-6-10(9)13(17)18/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119187245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).