4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H22N2O3 — CID 61193726

IUPAC4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O3/c1-3-9-16(10-4-2)14(19)15-12-7-5-11(6-8-12)13(17)18/h3-4,11-12H,1-2,5-10H2,(H,15,19)(H,17,18)
InChIKeyJORZIPJNKJBGKM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.01
Rot. Bonds6

About 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61193726) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61193726
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O3/c1-3-9-16(10-4-2)14(19)15-12-7-5-11(6-8-12)13(17)18/h3-4,11-12H,1-2,5-10H2,(H,15,19)(H,17,18)
InChIKeyJORZIPJNKJBGKM-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.01
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-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61193726) is 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid is C=CCN(CC=C)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JORZIPJNKJBGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9-16(10-4-2)14(19)15-12-7-5-11(6-8-12)13(17)18/h3-4,11-12H,1-2,5-10H2,(H,15,19)(H,17,18).
What are the key properties of 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61193726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).