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

C9H11Cl2NO2 — CID 138109176

IUPAC2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
SMILESCc1cccc(C(N)C(=O)O)c1Cl.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-5-3-2-4-6(7(5)10)8(11)9(12)13;/h2-4,8H,11H2,1H3,(H,12,13);1H
InChIKeyZXBKQDBQRTZDFL-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.15
Rot. Bonds2

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

2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride (PubChem CID 138109176) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
PubChem CID138109176
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
SMILESCc1cccc(C(N)C(=O)O)c1Cl.Cl
InChIInChI=1S/C9H10ClNO2.ClH/c1-5-3-2-4-6(7(5)10)8(11)9(12)13;/h2-4,8H,11H2,1H3,(H,12,13);1H
InChIKeyZXBKQDBQRTZDFL-UHFFFAOYSA-N
XLogP2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
CID 130701472
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
2-amino-2-[2-chloro-3-(2-methylprop-2-enoxy)phenyl]acetic acid
CID 117392247
4-(2-chloro-3-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877208
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride (CID 138109176) is 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride is Cc1cccc(C(N)C(=O)O)c1Cl.Cl.
What is the InChIKey of 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride?
The InChIKey is ZXBKQDBQRTZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.ClH/c1-5-3-2-4-6(7(5)10)8(11)9(12)13;/h2-4,8H,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride?
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 138109176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).