(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid

C10H12ClNO3 — CID 142490833

IUPAC(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
SMILESCN[C@@H](COc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-12-8(10(13)14)6-15-9-5-3-2-4-7(9)11/h2-5,8,12H,6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyUVSQUOXVHHNDLI-QMMMGPOBSA-N
MW229.66 g/mol
LogP1.39
Rot. Bonds5

About (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid

(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid (PubChem CID 142490833) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
PubChem CID142490833
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
SMILESCN[C@@H](COc1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-12-8(10(13)14)6-15-9-5-3-2-4-7(9)11/h2-5,8,12H,6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyUVSQUOXVHHNDLI-QMMMGPOBSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(2-chlorophenoxy)-2-(methylamino)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

Related Compounds

2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
3-(2-chlorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 118862711
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
3-(4-benzylphenoxy)-2-(methylamino)propanoic acid
CID 62273170
2-benzyl-3-(2-chlorophenoxy)propanoic acid
CID 117241638
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61242926
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 9157513

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid (CID 142490833) is (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid is CN[C@@H](COc1ccccc1Cl)C(=O)O.
What is the InChIKey of (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid?
The InChIKey is UVSQUOXVHHNDLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-12-8(10(13)14)6-15-9-5-3-2-4-7(9)11/h2-5,8,12H,6H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid?
(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid is sourced from PubChem (CID 142490833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).