methyl (2S)-2-amino-2-phenylacetate;hydrochloride

C9H12ClNO2 — CID 11217910

IUPACmethyl (2S)-2-amino-2-phenylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m0./s1
InChIKeyDTHMTBUWTGVEFG-QRPNPIFTSA-N
MW201.65 g/mol
LogP1.28
Rot. Bonds2

About methyl (2S)-2-amino-2-phenylacetate;hydrochloride

methyl (2S)-2-amino-2-phenylacetate;hydrochloride (PubChem CID 11217910) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-phenylacetate;hydrochloride
PubChem CID11217910
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Namemethyl (2S)-2-amino-2-phenylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m0./s1
InChIKeyDTHMTBUWTGVEFG-QRPNPIFTSA-N
XLogP1.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-amino-2-phenylacetate;hydrochloride 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 methyl (2S)-2-amino-2-phenylacetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-phenylacetate;hydrochloride (CID 11217910) is methyl (2S)-2-amino-2-phenylacetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-phenylacetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-phenylacetate;hydrochloride is COC(=O)[C@@H](N)c1ccccc1.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-phenylacetate;hydrochloride?
The InChIKey is DTHMTBUWTGVEFG-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-phenylacetate;hydrochloride?
methyl (2S)-2-amino-2-phenylacetate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-phenylacetate;hydrochloride is sourced from PubChem (CID 11217910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).