2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid

C17H21NO4 — CID 120699051

IUPAC2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NCC2(C3CC3)CCC2)c1
InChIInChI=1S/C17H21NO4/c19-15(20)10-22-14-4-1-3-12(9-14)16(21)18-11-17(7-2-8-17)13-5-6-13/h1,3-4,9,13H,2,5-8,10-11H2,(H,18,21)(H,19,20)
InChIKeyIRAATYAYONFZFB-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.46
Rot. Bonds7

About 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid

2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid (PubChem CID 120699051) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
PubChem CID120699051
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NCC2(C3CC3)CCC2)c1
InChIInChI=1S/C17H21NO4/c19-15(20)10-22-14-4-1-3-12(9-14)16(21)18-11-17(7-2-8-17)13-5-6-13/h1,3-4,9,13H,2,5-8,10-11H2,(H,18,21)(H,19,20)
InChIKeyIRAATYAYONFZFB-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic 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-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
CID 119185603
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
CID 119183964
2-[3-[(4-methylsulfanyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119186761
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-[(2-methyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 120552523
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
2-[3-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246952
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369254
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid (CID 120699051) is 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)NCC2(C3CC3)CCC2)c1.
What is the InChIKey of 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is IRAATYAYONFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15(20)10-22-14-4-1-3-12(9-14)16(21)18-11-17(7-2-8-17)13-5-6-13/h1,3-4,9,13H,2,5-8,10-11H2,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid?
2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120699051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).