2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid

C11H19NO2 — CID 103254779

IUPAC2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1CCC(C)C1C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-7-4-5-10(9(7)3)12-6-8(2)11(13)14/h7,9-10,12H,2,4-6H2,1,3H3,(H,13,14)
InChIKeyZYZBXZRNZMYCRX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.65
Rot. Bonds4

About 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid

2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid (PubChem CID 103254779) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid
PubChem CID103254779
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1CCC(C)C1C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-7-4-5-10(9(7)3)12-6-8(2)11(13)14/h7,9-10,12H,2,4-6H2,1,3H3,(H,13,14)
InChIKeyZYZBXZRNZMYCRX-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
2,3-dimethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 64910022
2-[[(3,4-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253355
2-[(2,3-dimethylcyclopentyl)amino]-N-propylacetamide
CID 64907846
2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103246772
N-cyclohexyl-2-[(2,3-dimethylcyclopentyl)amino]acetamide
CID 64908272
2-[(cyclobutylamino)methyl]prop-2-enoic acid
CID 103250129
2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
CID 64922286
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]prop-2-enoic acid
CID 103235388
2-[(2,3-dimethylcyclopentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 64909596
N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine
CID 130171656

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid (CID 103254779) is 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid is C=C(CNC1CCC(C)C1C)C(=O)O.
What is the InChIKey of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid?
The InChIKey is ZYZBXZRNZMYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-4-5-10(9(7)3)12-6-8(2)11(13)14/h7,9-10,12H,2,4-6H2,1,3H3,(H,13,14).
What are the key properties of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid?
2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103254779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).