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

C18H25NO4 — CID 119217192

IUPAC2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCCOCCc2ccccc2)CCC1
InChIInChI=1S/C18H25NO4/c20-16(19-18(10-5-11-18)14-17(21)22)8-4-12-23-13-9-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,19,20)(H,21,22)
InChIKeyWZQHCVSBXPGNBB-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.54
Rot. Bonds10

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

2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid (PubChem CID 119217192) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
PubChem CID119217192
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCCOCCc2ccccc2)CCC1
InChIInChI=1S/C18H25NO4/c20-16(19-18(10-5-11-18)14-17(21)22)8-4-12-23-13-9-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,19,20)(H,21,22)
InChIKeyWZQHCVSBXPGNBB-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.54
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-[1-[4-(2-methylphenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119218009
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
2-[1-[[(E)-5-phenylpent-4-enoyl]amino]cyclobutyl]acetic acid
CID 119217364
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
3-[4-(2-phenylethoxy)butanoylamino]butanoic acid
CID 119220650
2-[1-[(2-methyl-5-phenylpentanoyl)amino]cyclobutyl]acetic acid
CID 120521927
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-[4-(4-bromophenyl)sulfanylbutanoylamino]cyclobutyl]acetic acid
CID 119217217
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757
2-[4-[4-(2-methylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119215592

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid (CID 119217192) is 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CCCOCCc2ccccc2)CCC1.
What is the InChIKey of 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid?
The InChIKey is WZQHCVSBXPGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c20-16(19-18(10-5-11-18)14-17(21)22)8-4-12-23-13-9-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid?
2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-phenylethoxy)butanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).