4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 61184352

IUPAC4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-4-16(9-10(2)3)14(19)15-12-7-5-11(6-8-12)13(17)18/h11-12H,2,4-9H2,1,3H3,(H,15,19)(H,17,18)
InChIKeyVWLJSXBUVQPWRM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds5

About 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61184352) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61184352
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-4-16(9-10(2)3)14(19)15-12-7-5-11(6-8-12)13(17)18/h11-12H,2,4-9H2,1,3H3,(H,15,19)(H,17,18)
InChIKeyVWLJSXBUVQPWRM-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61184352) is 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is C=C(C)CN(CC)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is VWLJSXBUVQPWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-16(9-10(2)3)14(19)15-12-7-5-11(6-8-12)13(17)18/h11-12H,2,4-9H2,1,3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61184352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).