methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride

C9H10Cl3NO2 — CID 155903191

IUPACmethyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeySRIJGMLHUNVNAI-DDWIOCJRSA-N
MW270.54 g/mol
LogP2.59
Rot. Bonds2

About methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride (PubChem CID 155903191) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
PubChem CID155903191
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Namemethyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeySRIJGMLHUNVNAI-DDWIOCJRSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride 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 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
methyl (2R)-2-amino-2-(4-chloro-3-methoxyphenyl)acetate
CID 171230748
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl (2S)-2-amino-2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171208232
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
CID 130927845
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate;hydrochloride
CID 68768647
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride (CID 155903191) is methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride?
The InChIKey is SRIJGMLHUNVNAI-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5;/h2-4,8H,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride has a molecular weight of 270.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 155903191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).