2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid

C13H15NO4 — CID 82021009

IUPAC2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(=O)NC2CC2)cc1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-8(13(16)17)18-11-6-2-9(3-7-11)12(15)14-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSOHKBZBRQKCFW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid

2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid (PubChem CID 82021009) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid
PubChem CID82021009
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(=O)NC2CC2)cc1)C(=O)O
InChIInChI=1S/C13H15NO4/c1-8(13(16)17)18-11-6-2-9(3-7-11)12(15)14-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSOHKBZBRQKCFW-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclopropylcarbamoyl)phenoxy]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

4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid (CID 82021009) is 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid is CC(Oc1ccc(C(=O)NC2CC2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid?
The InChIKey is USOHKBZBRQKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8(13(16)17)18-11-6-2-9(3-7-11)12(15)14-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid?
2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid is sourced from PubChem (CID 82021009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).