2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid

C11H11Cl2NO5 — CID 595733

IUPAC2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(CO)C(=O)O
InChIInChI=1S/C11H11Cl2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-8(4-15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyAWWGHWDARIQIFJ-UHFFFAOYSA-N
MW308.12 g/mol
LogP0.93
Rot. Bonds6

About 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 595733) has the molecular formula C11H11Cl2NO5 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID595733
Molecular FormulaC11H11Cl2NO5
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(CO)C(=O)O
InChIInChI=1S/C11H11Cl2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-8(4-15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyAWWGHWDARIQIFJ-UHFFFAOYSA-N
XLogP0.93
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic 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

(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-sulfanylpropanoic acid
CID 22217276
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185
5-(diaminomethylideneamino)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 595726
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 6961899
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
(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-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid (CID 595733) is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is O=C(COc1ccc(Cl)cc1Cl)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is AWWGHWDARIQIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO5/c12-6-1-2-9(7(13)3-6)19-5-10(16)14-8(4-15)11(17)18/h1-3,8,15H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 308.12 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 595733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).