2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid

C14H19NO4 — CID 77129521

IUPAC2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C14H19NO4/c1-18-12-8-9(13(15)14(16)17)6-7-11(12)19-10-4-2-3-5-10/h6-8,10,13H,2-5,15H2,1H3,(H,16,17)
InChIKeyUGEUGKUAZSYNPA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid

2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid (PubChem CID 77129521) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
PubChem CID77129521
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C14H19NO4/c1-18-12-8-9(13(15)14(16)17)6-7-11(12)19-10-4-2-3-5-10/h6-8,10,13H,2-5,15H2,1H3,(H,16,17)
InChIKeyUGEUGKUAZSYNPA-UHFFFAOYSA-N
XLogP2.10
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic 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

(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
3-amino-2-(4-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117381015
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
CID 117475980
3-amino-3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117476009
3-amino-2-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117475989
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid (CID 77129521) is 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid is COc1cc(C(N)C(=O)O)ccc1OC1CCCC1.
What is the InChIKey of 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid?
The InChIKey is UGEUGKUAZSYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-8-9(13(15)14(16)17)6-7-11(12)19-10-4-2-3-5-10/h6-8,10,13H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid?
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 77129521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).