2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid

C17H23NO4 — CID 119218009

IUPAC2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
SMILESCc1ccccc1OCCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H23NO4/c1-13-6-2-3-7-14(13)22-11-4-8-15(19)18-17(9-5-10-17)12-16(20)21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyUKCFPAZLTOLRKP-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.67
Rot. Bonds8

About 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid

2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid (PubChem CID 119218009) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
PubChem CID119218009
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
SMILESCc1ccccc1OCCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H23NO4/c1-13-6-2-3-7-14(13)22-11-4-8-15(19)18-17(9-5-10-17)12-16(20)21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyUKCFPAZLTOLRKP-UHFFFAOYSA-N
XLogP2.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2-methylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119215592
1-[3-(2-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158517
2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217192
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid
CID 119217364
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
7-(2-methylphenoxy)heptanoic acid
CID 92930643
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid (CID 119218009) is 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid is Cc1ccccc1OCCCC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid?
The InChIKey is UKCFPAZLTOLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13-6-2-3-7-14(13)22-11-4-8-15(19)18-17(9-5-10-17)12-16(20)21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid?
2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).