1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid

C14H17NO4 — CID 81158771

IUPAC1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
SMILESCOC(C(=O)NC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-11(10-6-3-2-4-7-10)12(16)15-14(13(17)18)8-5-9-14/h2-4,6-7,11H,5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyFUIWPCCBUQRCPV-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.50
Rot. Bonds5

About 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid

1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158771) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158771
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
SMILESCOC(C(=O)NC1(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-19-11(10-6-3-2-4-7-10)12(16)15-14(13(17)18)8-5-9-14/h2-4,6-7,11H,5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyFUIWPCCBUQRCPV-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164696
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477
1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
CID 104898019
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
CID 115308431
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162628
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid (CID 81158771) is 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid is COC(C(=O)NC1(C(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is FUIWPCCBUQRCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-11(10-6-3-2-4-7-10)12(16)15-14(13(17)18)8-5-9-14/h2-4,6-7,11H,5,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).