2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid

C13H16ClNO4 — CID 43630726

IUPAC2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)COc1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-5-10(13(17)18)15-12(16)8-19-11-7-4-3-6-9(11)14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyGJWMOOSHYOKXJR-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.09
Rot. Bonds7

About 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid

2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid (PubChem CID 43630726) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
PubChem CID43630726
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)COc1ccccc1Cl)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-5-10(13(17)18)15-12(16)8-19-11-7-4-3-6-9(11)14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyGJWMOOSHYOKXJR-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61242926
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 9157513
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61173622
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid
CID 43469750
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2-chlorophenoxy)acetate
CID 55366701

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid (CID 43630726) is 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid is CCCC(NC(=O)COc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid?
The InChIKey is GJWMOOSHYOKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-5-10(13(17)18)15-12(16)8-19-11-7-4-3-6-9(11)14/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid?
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).