3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid

C17H23NO5 — CID 23132768

IUPAC3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(OCC(=O)NC2CCCC2)cc1)C(=O)O
InChIInChI=1S/C17H23NO5/c1-22-15(17(20)21)10-12-6-8-14(9-7-12)23-11-16(19)18-13-4-2-3-5-13/h6-9,13,15H,2-5,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyPRCCBCFIAFNUME-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.77
Rot. Bonds8

About 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid

3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid (PubChem CID 23132768) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid
PubChem CID23132768
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(OCC(=O)NC2CCCC2)cc1)C(=O)O
InChIInChI=1S/C17H23NO5/c1-22-15(17(20)21)10-12-6-8-14(9-7-12)23-11-16(19)18-13-4-2-3-5-13/h6-9,13,15H,2-5,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyPRCCBCFIAFNUME-UHFFFAOYSA-N
XLogP1.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic 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)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid
CID 23132719
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid?
The IUPAC name of 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid (CID 23132768) is 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid?
The canonical SMILES for 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid is COC(Cc1ccc(OCC(=O)NC2CCCC2)cc1)C(=O)O.
What is the InChIKey of 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid?
The InChIKey is PRCCBCFIAFNUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-22-15(17(20)21)10-12-6-8-14(9-7-12)23-11-16(19)18-13-4-2-3-5-13/h6-9,13,15H,2-5,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid?
3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid has a molecular weight of 321.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopentylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid is sourced from PubChem (CID 23132768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).