3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid

C12H21NO2 — CID 82329735

IUPAC3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
SMILESC=C(C)CN(CCC(=O)O)C1CCCC1
InChIInChI=1S/C12H21NO2/c1-10(2)9-13(8-7-12(14)15)11-5-3-4-6-11/h11H,1,3-9H2,2H3,(H,14,15)
InChIKeyGEUMUMQPEDWWJJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.28
Rot. Bonds6

About 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid

3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid (PubChem CID 82329735) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
PubChem CID82329735
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
SMILESC=C(C)CN(CCC(=O)O)C1CCCC1
InChIInChI=1S/C12H21NO2/c1-10(2)9-13(8-7-12(14)15)11-5-3-4-6-11/h11H,1,3-9H2,2H3,(H,14,15)
InChIKeyGEUMUMQPEDWWJJ-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

3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 60834611
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid (CID 82329735) is 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid is C=C(C)CN(CCC(=O)O)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid?
The InChIKey is GEUMUMQPEDWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)9-13(8-7-12(14)15)11-5-3-4-6-11/h11H,1,3-9H2,2H3,(H,14,15).
What are the key properties of 3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid?
3-[cyclopentyl(2-methylprop-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-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 82329735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).