3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid

C14H19NO3 — CID 117376397

IUPAC3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
SMILESNCC(C(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H19NO3/c15-9-13(14(16)17)10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)
InChIKeyDKXXCIFDCRZQJQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds5

About 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid

3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid (PubChem CID 117376397) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
PubChem CID117376397
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
SMILESNCC(C(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H19NO3/c15-9-13(14(16)17)10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)
InChIKeyDKXXCIFDCRZQJQ-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(4-cyclopentyloxyphenyl)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

2-(4-cyclopropyloxyphenyl)pentanoic acid
CID 114520015
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
CID 82480584
cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate
CID 174496709
3-amino-2-(4-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117381015
3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117446398
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
3-amino-2-(2-cyclobutyloxy-5-fluorophenyl)propanoic acid
CID 117385574
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
4-cycloheptyloxybenzamide
CID 141109251
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid (CID 117376397) is 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid is NCC(C(=O)O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid?
The InChIKey is DKXXCIFDCRZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-9-13(14(16)17)10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17).
What are the key properties of 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid?
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid is sourced from PubChem (CID 117376397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).