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

C10H14ClNO2 — CID 50944342

IUPACmethyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc(C)c1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-7-4-3-5-8(6-7)9(11)10(12)13-2;/h3-6,9H,11H2,1-2H3;1H
InChIKeyUCKBNDGDRIXKBH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.59
Rot. Bonds2

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

methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride (PubChem CID 50944342) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
PubChem CID50944342
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc(C)c1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-7-4-3-5-8(6-7)9(11)10(12)13-2;/h3-6,9H,11H2,1-2H3;1H
InChIKeyUCKBNDGDRIXKBH-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-2-(3-methylphenyl)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

ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl 2-[amino-(3-methylphenyl)methyl]-3-methylbutanoate
CID 116946100
2-amino-2-(3-methylphenyl)-N-propan-2-ylacetamide
CID 83532850
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride (CID 50944342) is methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride is COC(=O)C(N)c1cccc(C)c1.Cl.
What is the InChIKey of methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride?
The InChIKey is UCKBNDGDRIXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-7-4-3-5-8(6-7)9(11)10(12)13-2;/h3-6,9H,11H2,1-2H3;1H.
What are the key properties of methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride?
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.59, 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-methylphenyl)acetate;hydrochloride is sourced from PubChem (CID 50944342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).