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

C14H17NO5 — CID 81158031

IUPAC1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)NC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C14H17NO5/c1-19-10-3-5-11(6-4-10)20-9-12(16)15-14(13(17)18)7-2-8-14/h3-6H,2,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyASHJTCHRUWDONK-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.20
Rot. Bonds6

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

1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81158031) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81158031
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)NC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C14H17NO5/c1-19-10-3-5-11(6-4-10)20-9-12(16)15-14(13(17)18)7-2-8-14/h3-6H,2,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyASHJTCHRUWDONK-UHFFFAOYSA-N
XLogP1.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
1-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]cyclobutane-1-carboxylic acid
CID 81157954
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81158031) is 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid is COc1ccc(OCC(=O)NC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is ASHJTCHRUWDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-10-3-5-11(6-4-10)20-9-12(16)15-14(13(17)18)7-2-8-14/h3-6H,2,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.20, 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)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).