methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate

C9H9Cl2NO3 — CID 131463179

IUPACmethyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C9H9Cl2NO3/c1-15-9(14)7(12)4-2-3-5(10)6(11)8(4)13/h2-3,7,13H,12H2,1H3/t7-/m1/s1
InChIKeyZRXFYJYJJVMPHS-SSDOTTSWSA-N
MW250.08 g/mol
LogP1.87
Rot. Bonds2

About methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate

methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate (PubChem CID 131463179) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
PubChem CID131463179
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Namemethyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C9H9Cl2NO3/c1-15-9(14)7(12)4-2-3-5(10)6(11)8(4)13/h2-3,7,13H,12H2,1H3/t7-/m1/s1
InChIKeyZRXFYJYJJVMPHS-SSDOTTSWSA-N
XLogP1.87
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate 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

methyl (3S)-3-amino-3-(3,4-dichloro-2-hydroxyphenyl)propanoate;hydrochloride
CID 171253992
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl (2S)-2-amino-2-(3-chloro-5-fluoro-2-hydroxyphenyl)acetate
CID 131512220
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
CID 68634911
methyl 2-amino-2-(3-bromo-2-hydroxyphenyl)acetate
CID 130059952
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-dichlorophenol;hydrochloride
CID 171257341
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate (CID 131463179) is methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate is COC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1O.
What is the InChIKey of methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate?
The InChIKey is ZRXFYJYJJVMPHS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-15-9(14)7(12)4-2-3-5(10)6(11)8(4)13/h2-3,7,13H,12H2,1H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate?
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate has a molecular weight of 250.08 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate is sourced from PubChem (CID 131463179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).