2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid

C11H15NO3 — CID 84780586

IUPAC2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(N)C(=O)O)c(C)c1O
InChIInChI=1S/C11H15NO3/c1-5-4-6(2)10(13)7(3)8(5)9(12)11(14)15/h4,9,13H,12H2,1-3H3,(H,14,15)
InChIKeyKBNBGABSRCDBIV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.40
Rot. Bonds2

About 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid

2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid (PubChem CID 84780586) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
PubChem CID84780586
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(N)C(=O)O)c(C)c1O
InChIInChI=1S/C11H15NO3/c1-5-4-6(2)10(13)7(3)8(5)9(12)11(14)15/h4,9,13H,12H2,1-3H3,(H,14,15)
InChIKeyKBNBGABSRCDBIV-UHFFFAOYSA-N
XLogP1.40
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
CID 84710017
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
CID 84784304
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
2-amino-2-(3-bromo-6-hydroxy-2-methylphenyl)acetic acid
CID 84710002

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid (CID 84780586) is 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid is Cc1cc(C)c(C(N)C(=O)O)c(C)c1O.
What is the InChIKey of 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid?
The InChIKey is KBNBGABSRCDBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-5-4-6(2)10(13)7(3)8(5)9(12)11(14)15/h4,9,13H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid?
2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 84780586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).