4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 63782964

IUPAC4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-9(10-3-4-10)15(2)13(16)11-5-7-12(8-6-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyZEZUZUXJWWDTAW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds4

About 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782964) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782964
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-9(10-3-4-10)15(2)13(16)11-5-7-12(8-6-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyZEZUZUXJWWDTAW-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782964) is 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C1CC1)N(C)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZEZUZUXJWWDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(10-3-4-10)15(2)13(16)11-5-7-12(8-6-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).