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

C23H27NO5 — CID 4917671

IUPAC3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NC(CC(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H27NO5/c1-16(28-18-7-3-2-4-8-18)23(27)24-21(15-22(25)26)17-11-13-20(14-12-17)29-19-9-5-6-10-19/h2-4,7-8,11-14,16,19,21H,5-6,9-10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyOJBUUVORXOOKLB-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.11
Rot. Bonds9

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

3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid (PubChem CID 4917671) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid
PubChem CID4917671
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid
SMILESCC(Oc1ccccc1)C(=O)NC(CC(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H27NO5/c1-16(28-18-7-3-2-4-8-18)23(27)24-21(15-22(25)26)17-11-13-20(14-12-17)29-19-9-5-6-10-19/h2-4,7-8,11-14,16,19,21H,5-6,9-10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyOJBUUVORXOOKLB-UHFFFAOYSA-N
XLogP4.11
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3R)-3-(4-cyclopentyloxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate
CID 7320291
N-(3-cyclopentyloxyphenyl)-2-phenoxypropanamide
CID 46579795
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(3S)-3-(4-cyclopentyloxyphenyl)-3-(phenylcarbamoylamino)propanoate
CID 7320301
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 1382002
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-(4-cyclopentyloxyphenyl)-2-phenoxybutanamide
CID 132651998
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
CID 119201282
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid (CID 4917671) is 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid is CC(Oc1ccccc1)C(=O)NC(CC(=O)O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid?
The InChIKey is OJBUUVORXOOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-16(28-18-7-3-2-4-8-18)23(27)24-21(15-22(25)26)17-11-13-20(14-12-17)29-19-9-5-6-10-19/h2-4,7-8,11-14,16,19,21H,5-6,9-10,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid?
3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid has a molecular weight of 397.47 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid is sourced from PubChem (CID 4917671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).