methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride

C9H11Cl2NO2 — CID 24887640

IUPACmethyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccccc1Cl.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1
InChIKeySUUNIMMHDPICBD-QRPNPIFTSA-N
MW236.10 g/mol
LogP1.93
Rot. Bonds2

About methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride

methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride (PubChem CID 24887640) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride
PubChem CID24887640
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Namemethyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccccc1Cl.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1
InChIKeySUUNIMMHDPICBD-QRPNPIFTSA-N
XLogP1.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride (CID 24887640) is methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride is COC(=O)[C@@H](N)c1ccccc1Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
The InChIKey is SUUNIMMHDPICBD-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(2-chlorophenyl)acetate;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 1.93, 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-(2-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 24887640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).