methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride

C9H11Cl2NO2 — CID 71779081

IUPACmethyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc(Cl)c1.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H
InChIKeyFHJXVCBNESUBMV-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride

methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride (PubChem CID 71779081) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride
PubChem CID71779081
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Namemethyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc(Cl)c1.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H
InChIKeyFHJXVCBNESUBMV-UHFFFAOYSA-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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Related Compounds

Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
Phenylalanine, 4-chloro-, methyl ester
CID 26532
2-Amino-2-(3-chlorophenyl)acetic acid
CID 290730
2-Amino-2-(3-chloro-4-fluorophenyl)acetic acid
CID 2773727
3-chloro-L-phenylalanine
CID 2761492
2-Azaniumyl-2-phenylacetate
CID 25200329
2-(2-Chlorophenyl)glycine
CID 290729
Methyl phenylglycine
CID 117324
L-alpha-Phenylglycine
CID 6931074
4-Chloro-DL-phenylalanine methyl ester hydrochloride
CID 2733277
3-Chloro-D-phenylalanine
CID 7009409
Methyl (R)-aminophenylacetate
CID 90514

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride (CID 71779081) is methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride is COC(=O)C(N)c1cccc(Cl)c1.Cl.
What is the InChIKey of methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride?
The InChIKey is FHJXVCBNESUBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H.
What are the key properties of methyl 2-amino-2-(3-chlorophenyl)acetate;hydrochloride?
methyl 2-amino-2-(3-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 2-amino-2-(3-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 71779081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).