1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C15H16N2O4 — CID 43351152

IUPAC1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccccc1OCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H16N2O4/c16-9-11-5-1-2-6-12(11)21-10-13(18)17-15(14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-8,10H2,(H,17,18)(H,19,20)
InChIKeyVXRLQQSCOIZILB-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.45
Rot. Bonds5

About 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351152) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351152
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccccc1OCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H16N2O4/c16-9-11-5-1-2-6-12(11)21-10-13(18)17-15(14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-8,10H2,(H,17,18)(H,19,20)
InChIKeyVXRLQQSCOIZILB-UHFFFAOYSA-N
XLogP1.45
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-cyanophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64890384
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318201
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
2-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425
2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417759
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43351152) is 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is N#Cc1ccccc1OCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VXRLQQSCOIZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-9-11-5-1-2-6-12(11)21-10-13(18)17-15(14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-8,10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).