(2S)-2-(dichloroamino)-3-hydroxypropanoic acid

C3H5Cl2NO3 — CID 57128286

IUPAC(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)N(Cl)Cl
InChIInChI=1S/C3H5Cl2NO3/c4-6(5)2(1-7)3(8)9/h2,7H,1H2,(H,8,9)/t2-/m0/s1
InChIKeyUMPMMKNEUKXBQY-REOHCLBHSA-N
MW173.98 g/mol
LogP0.04
Rot. Bonds3

About (2S)-2-(dichloroamino)-3-hydroxypropanoic acid

(2S)-2-(dichloroamino)-3-hydroxypropanoic acid (PubChem CID 57128286) has the molecular formula C3H5Cl2NO3 and a molecular weight of 173.98 g/mol. Its IUPAC name is (2S)-2-(dichloroamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
PubChem CID57128286
Molecular FormulaC3H5Cl2NO3
Molecular Weight173.98 g/mol
Exact Mass172.96
IUPAC Name(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)N(Cl)Cl
InChIInChI=1S/C3H5Cl2NO3/c4-6(5)2(1-7)3(8)9/h2,7H,1H2,(H,8,9)/t2-/m0/s1
InChIKeyUMPMMKNEUKXBQY-REOHCLBHSA-N
XLogP0.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.98
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (2S)-2-(dichloroamino)-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dichloroamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(dichloroamino)-3-hydroxypropanoic acid (CID 57128286) is (2S)-2-(dichloroamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(dichloroamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(dichloroamino)-3-hydroxypropanoic acid is O=C(O)[C@H](CO)N(Cl)Cl.
What is the InChIKey of (2S)-2-(dichloroamino)-3-hydroxypropanoic acid?
The InChIKey is UMPMMKNEUKXBQY-REOHCLBHSA-N. The full InChI is InChI=1S/C3H5Cl2NO3/c4-6(5)2(1-7)3(8)9/h2,7H,1H2,(H,8,9)/t2-/m0/s1.
What are the key properties of (2S)-2-(dichloroamino)-3-hydroxypropanoic acid?
(2S)-2-(dichloroamino)-3-hydroxypropanoic acid has a molecular weight of 173.98 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dichloroamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 57128286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).