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

C11H11Cl2NO4 — CID 114006523

IUPAC(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(Cc1ccc(Cl)cc1Cl)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c12-7-2-1-6(8(13)4-7)3-10(16)14-5-9(15)11(17)18/h1-2,4,9,15H,3,5H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeySZXONAWHOZPZBA-VIFPVBQESA-N
MW292.12 g/mol
LogP1.10
Rot. Bonds5

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

(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 114006523) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
PubChem CID114006523
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(Cc1ccc(Cl)cc1Cl)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c12-7-2-1-6(8(13)4-7)3-10(16)14-5-9(15)11(17)18/h1-2,4,9,15H,3,5H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeySZXONAWHOZPZBA-VIFPVBQESA-N
XLogP1.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-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

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 66166034
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
CID 107833634
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid (CID 114006523) is (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid is O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is SZXONAWHOZPZBA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c12-7-2-1-6(8(13)4-7)3-10(16)14-5-9(15)11(17)18/h1-2,4,9,15H,3,5H2,(H,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 292.12 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 114006523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).