2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

C15H25NO3 — CID 64835983

IUPAC2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO3/c1-9-7-5-6-8-10(9)16(4)13(17)11-12(14(18)19)15(11,2)3/h9-12H,5-8H2,1-4H3,(H,18,19)
InChIKeyCGTLYIVJFMYNRH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds3

About 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64835983) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64835983
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO3/c1-9-7-5-6-8-10(9)16(4)13(17)11-12(14(18)19)15(11,2)3/h9-12H,5-8H2,1-4H3,(H,18,19)
InChIKeyCGTLYIVJFMYNRH-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 64835983) is 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is CC1CCCCC1N(C)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CGTLYIVJFMYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9-7-5-6-8-10(9)16(4)13(17)11-12(14(18)19)15(11,2)3/h9-12H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).