3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid

C11H15NO3 — CID 117298581

IUPAC3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C(CN)C(=O)O)cc(O)c1C
InChIInChI=1S/C11H15NO3/c1-6-3-8(4-10(13)7(6)2)9(5-12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15)
InChIKeyRMMZJCUINOWMAY-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.14
Rot. Bonds3

About 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid

3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid (PubChem CID 117298581) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid
PubChem CID117298581
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C(CN)C(=O)O)cc(O)c1C
InChIInChI=1S/C11H15NO3/c1-6-3-8(4-10(13)7(6)2)9(5-12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15)
InChIKeyRMMZJCUINOWMAY-UHFFFAOYSA-N
XLogP1.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117323026
3-amino-2-(3-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117319642
3-amino-2-(3-chloro-4-fluoro-5-methylphenyl)propanoic acid
CID 84695104
3-amino-2-(4-chloro-3-methylphenyl)propanoic acid
CID 83835403
3-amino-2-(2,3,5-trimethylphenyl)propanoic acid
CID 117296257
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
3-amino-2-(3-ethoxy-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117390839
3-amino-2-(3-fluoro-5-methoxy-4-methylphenyl)propanoic acid
CID 115005903
3-amino-2-(3-bromo-2-fluoro-5,6-dimethylphenyl)propanoic acid
CID 117468277
3-amino-2-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691069
3-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 84805732
3-amino-2-(2,6-difluoro-3,5-dimethylphenyl)propanoic acid
CID 84792620

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid (CID 117298581) is 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid is Cc1cc(C(CN)C(=O)O)cc(O)c1C.
What is the InChIKey of 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid?
The InChIKey is RMMZJCUINOWMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-3-8(4-10(13)7(6)2)9(5-12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid?
3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-hydroxy-4,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117298581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).