1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid

C15H19NO5 — CID 81164171

IUPAC1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(OC(C)C(=O)NC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-12-6-4-11(20-2)5-7-12)13(17)16-15(14(18)19)8-3-9-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYFXMDHXZMIJUBO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.59
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid

1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81164171) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
PubChem CID81164171
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(OC(C)C(=O)NC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-12-6-4-11(20-2)5-7-12)13(17)16-15(14(18)19)8-3-9-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYFXMDHXZMIJUBO-UHFFFAOYSA-N
XLogP1.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119113818
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55572088
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 22111951
1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 22112040
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid (CID 81164171) is 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid is COc1ccc(OC(C)C(=O)NC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is YFXMDHXZMIJUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(21-12-6-4-11(20-2)5-7-12)13(17)16-15(14(18)19)8-3-9-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).