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

C12H13NO4 — CID 80740936

IUPAC1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H13NO4/c14-9-4-2-1-3-8(9)7-10(15)13-12(5-6-12)11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyXOUBAQWDFOXUML-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.67
Rot. Bonds4

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

1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 80740936) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID80740936
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H13NO4/c14-9-4-2-1-3-8(9)7-10(15)13-12(5-6-12)11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyXOUBAQWDFOXUML-UHFFFAOYSA-N
XLogP0.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75483399
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
1-[[2-(2-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158336
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-(3-phenylsulfanylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453250

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid (CID 80740936) is 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid is O=C(Cc1ccccc1O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is XOUBAQWDFOXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-9-4-2-1-3-8(9)7-10(15)13-12(5-6-12)11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17).
What are the key properties of 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 80740936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).