3-[cyclohexyl(prop-2-enyl)amino]propanoic acid

C12H21NO2 — CID 82327969

IUPAC3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-9-13(10-8-12(14)15)11-6-4-3-5-7-11/h2,11H,1,3-10H2,(H,14,15)
InChIKeyHHKKTKZGUDEEMQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.28
Rot. Bonds6

About 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid

3-[cyclohexyl(prop-2-enyl)amino]propanoic acid (PubChem CID 82327969) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
PubChem CID82327969
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-9-13(10-8-12(14)15)11-6-4-3-5-7-11/h2,11H,1,3-10H2,(H,14,15)
InChIKeyHHKKTKZGUDEEMQ-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 54926123
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
N-(2-bromoethyl)-N-prop-2-enylcyclopentanamine
CID 80672416
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
N-(2-chloroethyl)-N-prop-2-enylcyclobutanamine
CID 102861277
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid (CID 82327969) is 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid is C=CCN(CCC(=O)O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is HHKKTKZGUDEEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-9-13(10-8-12(14)15)11-6-4-3-5-7-11/h2,11H,1,3-10H2,(H,14,15).
What are the key properties of 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid?
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 82327969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).