(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride

C8H9Cl2NO2 — CID 91800311

IUPAC(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
SMILESCl.N[C@@H](C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO2.ClH/c9-6-3-1-2-5(4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H/t7-;/m1./s1
InChIKeyYPIVOEYNISLYJX-OGFXRTJISA-N
MW222.07 g/mol
LogP1.85
Rot. Bonds2

About (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride

(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride (PubChem CID 91800311) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
PubChem CID91800311
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
SMILESCl.N[C@@H](C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO2.ClH/c9-6-3-1-2-5(4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H/t7-;/m1./s1
InChIKeyYPIVOEYNISLYJX-OGFXRTJISA-N
XLogP1.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-2-(3-chlorophenyl)acetic acid;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

2-[amino-(3-chlorophenyl)methyl]prop-2-enoic acid
CID 72672685
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
propan-2-yl 2-amino-2-(3-chlorophenyl)acetate
CID 141482559
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
2-amino-2-(3-chlorophenyl)-1-(4-sulfanylpiperazin-1-yl)ethanone
CID 155419045

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride (CID 91800311) is (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride is Cl.N[C@@H](C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride?
The InChIKey is YPIVOEYNISLYJX-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8ClNO2.ClH/c9-6-3-1-2-5(4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride?
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 91800311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).