(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid

C13H15Cl2NO4 — CID 107564359

IUPAC(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO4/c1-2-3-10(13(18)19)16-12(17)7-20-11-6-8(14)4-5-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyHQYQSXHTALHFKI-JTQLQIEISA-N
MW320.17 g/mol
LogP2.74
Rot. Bonds7

About (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid

(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid (PubChem CID 107564359) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
PubChem CID107564359
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Name(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO4/c1-2-3-10(13(18)19)16-12(17)7-20-11-6-8(14)4-5-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyHQYQSXHTALHFKI-JTQLQIEISA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid
CID 43469750
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid (CID 107564359) is (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid?
The InChIKey is HQYQSXHTALHFKI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-2-3-10(13(18)19)16-12(17)7-20-11-6-8(14)4-5-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid?
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid has a molecular weight of 320.17 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).