3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid

C15H21NO3 — CID 79649081

IUPAC3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-2-10-16-15(14(17)18)9-8-13(11-15)19-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyXJDVBPXFRZZADU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds6

About 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid

3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 79649081) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID79649081
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-2-10-16-15(14(17)18)9-8-13(11-15)19-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyXJDVBPXFRZZADU-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic 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-(3,4-difluorophenoxy)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79648140
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648627
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79646691
methyl 4-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796895
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid (CID 79649081) is 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(Oc2ccccc2)C1.
What is the InChIKey of 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XJDVBPXFRZZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-10-16-15(14(17)18)9-8-13(11-15)19-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid?
3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).