1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid

C13H15NO4 — CID 81163856

IUPAC1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1cccc(O)c1)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H15NO4/c15-10-4-1-3-9(7-10)8-11(16)14-13(12(17)18)5-2-6-13/h1,3-4,7,15H,2,5-6,8H2,(H,14,16)(H,17,18)
InChIKeyYTEFXCGUKQIZQU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.06
Rot. Bonds4

About 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81163856) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81163856
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1cccc(O)c1)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H15NO4/c15-10-4-1-3-9(7-10)8-11(16)14-13(12(17)18)5-2-6-13/h1,3-4,7,15H,2,5-6,8H2,(H,14,16)(H,17,18)
InChIKeyYTEFXCGUKQIZQU-UHFFFAOYSA-N
XLogP1.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167827
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 166235429
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 80740936

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81163856) is 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1cccc(O)c1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is YTEFXCGUKQIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-10-4-1-3-9(7-10)8-11(16)14-13(12(17)18)5-2-6-13/h1,3-4,7,15H,2,5-6,8H2,(H,14,16)(H,17,18).
What are the key properties of 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).