(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid

C10H13NO3 — CID 14550068

IUPAC(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
SMILESCc1cc(O)cc(C)c1[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO3/c1-5-3-7(12)4-6(2)8(5)9(11)10(13)14/h3-4,9,12H,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyJRBPYBDMPICUOT-VIFPVBQESA-N
MW195.22 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid

(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid (PubChem CID 14550068) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
PubChem CID14550068
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
SMILESCc1cc(O)cc(C)c1[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO3/c1-5-3-7(12)4-6(2)8(5)9(11)10(13)14/h3-4,9,12H,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyJRBPYBDMPICUOT-VIFPVBQESA-N
XLogP1.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
CID 84780586
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
4-amino-4-(4-hydroxy-2,6-dimethylphenyl)butanoic acid
CID 84688291
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
CID 84784304
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
CID 131076622
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid (CID 14550068) is (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid is Cc1cc(O)cc(C)c1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid?
The InChIKey is JRBPYBDMPICUOT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3/c1-5-3-7(12)4-6(2)8(5)9(11)10(13)14/h3-4,9,12H,11H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid?
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 14550068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).