2-amino-2-(3-methylphenyl)acetic acid;hydrochloride

C9H12ClNO2 — CID 24730259

IUPAC2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
SMILESCc1cccc(C(N)C(=O)O)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6-3-2-4-7(5-6)8(10)9(11)12;/h2-5,8H,10H2,1H3,(H,11,12);1H
InChIKeyLWJTVGAVWMCIKT-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride

2-amino-2-(3-methylphenyl)acetic acid;hydrochloride (PubChem CID 24730259) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
PubChem CID24730259
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
SMILESCc1cccc(C(N)C(=O)O)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6-3-2-4-7(5-6)8(10)9(11)12;/h2-5,8H,10H2,1H3,(H,11,12);1H
InChIKeyLWJTVGAVWMCIKT-UHFFFAOYSA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
2-amino-2-(3-methylphenyl)-N-propan-2-ylacetamide
CID 83532850
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
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CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
sodium;2-amino-2-[3-(4-methylbenzenecarbothioyl)phenyl]acetic acid;hydride;hydrate
CID 173418210
2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
CID 117115033
2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
CID 82510307

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride (CID 24730259) is 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride is Cc1cccc(C(N)C(=O)O)c1.Cl.
What is the InChIKey of 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride?
The InChIKey is LWJTVGAVWMCIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-6-3-2-4-7(5-6)8(10)9(11)12;/h2-5,8H,10H2,1H3,(H,11,12);1H.
What are the key properties of 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride?
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methylphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 24730259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).