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

C12H13NO5 — CID 65452796

IUPAC1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(COc1ccccc1O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H13NO5/c14-8-3-1-2-4-9(8)18-7-10(15)13-12(5-6-12)11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyCWDLZTNMIXSQQI-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.50
Rot. Bonds5

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

1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 65452796) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID65452796
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(COc1ccccc1O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H13NO5/c14-8-3-1-2-4-9(8)18-7-10(15)13-12(5-6-12)11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyCWDLZTNMIXSQQI-UHFFFAOYSA-N
XLogP0.50
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120515100
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152
1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 80740936
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
3-[[2-(2-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889416
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64890384
2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164815
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid (CID 65452796) is 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid is O=C(COc1ccccc1O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is CWDLZTNMIXSQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-8-3-1-2-4-9(8)18-7-10(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-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).