(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid

C11H12ClNO4 — CID 732162

IUPAC(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyZESKQMQDEUTJJN-ZETCQYMHSA-N
MW257.67 g/mol
LogP1.31
Rot. Bonds5

About (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid

(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid (PubChem CID 732162) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid
PubChem CID732162
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyZESKQMQDEUTJJN-ZETCQYMHSA-N
XLogP1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid (CID 732162) is (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid is C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid?
The InChIKey is ZESKQMQDEUTJJN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid?
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid has a molecular weight of 257.67 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 732162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).