2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid

C9H10ClNO3 — CID 84784304

IUPAC2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
SMILESCc1cc(O)c(C(N)C(=O)O)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c1-4-2-5(10)7(6(12)3-4)8(11)9(13)14/h2-3,8,12H,11H2,1H3,(H,13,14)
InChIKeyUSXQAQHWKRXRJM-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid

2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid (PubChem CID 84784304) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
PubChem CID84784304
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
SMILESCc1cc(O)c(C(N)C(=O)O)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c1-4-2-5(10)7(6(12)3-4)8(11)9(13)14/h2-3,8,12H,11H2,1H3,(H,13,14)
InChIKeyUSXQAQHWKRXRJM-UHFFFAOYSA-N
XLogP1.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
methyl (2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetate;hydrochloride
CID 171211605
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
CID 11401421
2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
CID 84780586
(2S)-2-amino-2-(3-bromo-5-methylphenyl)acetic acid
CID 130864981
(2S)-2-amino-2-(2-hydroxy-4,6-dimethoxyphenyl)acetic acid
CID 66513076

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid (CID 84784304) is 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid is Cc1cc(O)c(C(N)C(=O)O)c(Cl)c1.
What is the InChIKey of 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid?
The InChIKey is USXQAQHWKRXRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-4-2-5(10)7(6(12)3-4)8(11)9(13)14/h2-3,8,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid?
2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid has a molecular weight of 215.64 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 84784304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).