3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H24N2O3 — CID 63044263

IUPAC3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O3/c1-3-8-17(9-4-2)14(18)11-16-13-7-5-6-12(10-13)15(19)20/h3-4,12-13,16H,1-2,5-11H2,(H,19,20)
InChIKeyIJWDRUSVTONYHM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds8

About 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63044263) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63044263
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H24N2O3/c1-3-8-17(9-4-2)14(18)11-16-13-7-5-6-12(10-13)15(19)20/h3-4,12-13,16H,1-2,5-11H2,(H,19,20)
InChIKeyIJWDRUSVTONYHM-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 63044263) is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is C=CCN(CC=C)C(=O)CNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IJWDRUSVTONYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-8-17(9-4-2)14(18)11-16-13-7-5-6-12(10-13)15(19)20/h3-4,12-13,16H,1-2,5-11H2,(H,19,20).
What are the key properties of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).