2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid

C16H23NO2 — CID 103266906

IUPAC2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid
SMILESCC1CCC(NCc2ccc(C(C)C(=O)O)cc2)C1
InChIInChI=1S/C16H23NO2/c1-11-3-8-15(9-11)17-10-13-4-6-14(7-5-13)12(2)16(18)19/h4-7,11-12,15,17H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyZGYZQMQOLXDFQY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid

2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid (PubChem CID 103266906) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid
PubChem CID103266906
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid
SMILESCC1CCC(NCc2ccc(C(C)C(=O)O)cc2)C1
InChIInChI=1S/C16H23NO2/c1-11-3-8-15(9-11)17-10-13-4-6-14(7-5-13)12(2)16(18)19/h4-7,11-12,15,17H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyZGYZQMQOLXDFQY-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic 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

[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
CID 103254735
2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480
4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
CID 64501741
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid (CID 103266906) is 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid is CC1CCC(NCc2ccc(C(C)C(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid?
The InChIKey is ZGYZQMQOLXDFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-3-8-15(9-11)17-10-13-4-6-14(7-5-13)12(2)16(18)19/h4-7,11-12,15,17H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid?
2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid is sourced from PubChem (CID 103266906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).