4-(methylcarbamoyl)cyclohexane-1-carboxylic acid

C9H15NO3 — CID 58319709

IUPAC4-(methylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyPRCKZQNYKMMYAS-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds2

About 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid

4-(methylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 58319709) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(methylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID58319709
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(methylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyPRCKZQNYKMMYAS-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid (CID 58319709) is 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid is CNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is PRCKZQNYKMMYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(methylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58319709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).