2-carbamoyl-5-methylcyclohexane-1-carboxylic acid

C9H15NO3 — CID 91122566

IUPAC2-carbamoyl-5-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(N)=O)C(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h5-7H,2-4H2,1H3,(H2,10,11)(H,12,13)
InChIKeyJUQVAHCDMWZFII-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds2

About 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid

2-carbamoyl-5-methylcyclohexane-1-carboxylic acid (PubChem CID 91122566) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-5-methylcyclohexane-1-carboxylic acid
PubChem CID91122566
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-carbamoyl-5-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(N)=O)C(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h5-7H,2-4H2,1H3,(H2,10,11)(H,12,13)
InChIKeyJUQVAHCDMWZFII-UHFFFAOYSA-N
XLogP0.61
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid (CID 91122566) is 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid is CC1CCC(C(N)=O)C(C(=O)O)C1.
What is the InChIKey of 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid?
The InChIKey is JUQVAHCDMWZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h5-7H,2-4H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid?
2-carbamoyl-5-methylcyclohexane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 91122566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).