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

C14H17Cl2NO4 — CID 43469750

IUPAC2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-2-3-4-11(14(19)20)17-13(18)8-21-12-7-9(15)5-6-10(12)16/h5-7,11H,2-4,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyIYFZDYWXCXIDJT-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.13
Rot. Bonds8

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

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid (PubChem CID 43469750) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid
PubChem CID43469750
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-2-3-4-11(14(19)20)17-13(18)8-21-12-7-9(15)5-6-10(12)16/h5-7,11H,2-4,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyIYFZDYWXCXIDJT-UHFFFAOYSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic 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

(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
(2S)-2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]hexanoic acid
CID 107144440
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]hexanoic acid
CID 107144003
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
5-(diaminomethylideneamino)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 595726
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid (CID 43469750) is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid is CCCCC(NC(=O)COc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid?
The InChIKey is IYFZDYWXCXIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-2-3-4-11(14(19)20)17-13(18)8-21-12-7-9(15)5-6-10(12)16/h5-7,11H,2-4,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid?
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid has a molecular weight of 334.20 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43469750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).