2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C11H19NO3 — CID 2788077

IUPAC2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLKHIMICNMRXHFN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds3

About 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2788077) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2788077
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLKHIMICNMRXHFN-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2788077) is 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CC(C)NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is LKHIMICNMRXHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2788077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).