2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid

C17H23NO5 — CID 119223918

IUPAC2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)O
InChIInChI=1S/C17H23NO5/c1-3-13(17(20)21)18-16(19)11-8-9-14(15(10-11)22-2)23-12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQFKQDCCGSJKNLA-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.61
Rot. Bonds7

About 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid

2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid (PubChem CID 119223918) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
PubChem CID119223918
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)O
InChIInChI=1S/C17H23NO5/c1-3-13(17(20)21)18-16(19)11-8-9-14(15(10-11)22-2)23-12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQFKQDCCGSJKNLA-UHFFFAOYSA-N
XLogP2.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic 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

2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid (CID 119223918) is 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid is CCC(NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)O.
What is the InChIKey of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid?
The InChIKey is QFKQDCCGSJKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-3-13(17(20)21)18-16(19)11-8-9-14(15(10-11)22-2)23-12-6-4-5-7-12/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid?
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid has a molecular weight of 321.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 119223918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).