3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid

C16H23NO4 — CID 22022327

IUPAC3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
SMILESCCOc1cc(C(N)CC(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C16H23NO4/c1-2-20-15-9-11(13(17)10-16(18)19)7-8-14(15)21-12-5-3-4-6-12/h7-9,12-13H,2-6,10,17H2,1H3,(H,18,19)
InChIKeyNYARXHOZBDXTKE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.88
Rot. Bonds7

About 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid

3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid (PubChem CID 22022327) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
PubChem CID22022327
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
SMILESCCOc1cc(C(N)CC(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C16H23NO4/c1-2-20-15-9-11(13(17)10-16(18)19)7-8-14(15)21-12-5-3-4-6-12/h7-9,12-13H,2-6,10,17H2,1H3,(H,18,19)
InChIKeyNYARXHOZBDXTKE-UHFFFAOYSA-N
XLogP2.88
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)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

3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
3-amino-3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117476009
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
3-amino-3-[3-methoxy-4-(thian-3-yloxy)phenyl]propanoic acid
CID 117496281
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373
(3S)-3-amino-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9152526
3-amino-3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493374
3-amino-3-(5-bromo-2-cyclopropyloxyphenyl)propanoic acid
CID 117483188
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid (CID 22022327) is 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid is CCOc1cc(C(N)CC(=O)O)ccc1OC1CCCC1.
What is the InChIKey of 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
The InChIKey is NYARXHOZBDXTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-20-15-9-11(13(17)10-16(18)19)7-8-14(15)21-12-5-3-4-6-12/h7-9,12-13H,2-6,10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 22022327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).