2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid

C10H13NO3 — CID 55269104

IUPAC2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1c(O)cccc1CC(N)C(=O)O
InChIInChI=1S/C10H13NO3/c1-6-7(3-2-4-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)
InChIKeyRSTFQENCSTWRGD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid

2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid (PubChem CID 55269104) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
PubChem CID55269104
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1c(O)cccc1CC(N)C(=O)O
InChIInChI=1S/C10H13NO3/c1-6-7(3-2-4-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)
InChIKeyRSTFQENCSTWRGD-UHFFFAOYSA-N
XLogP0.66
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
2-amino-3-(2,3-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 174776848
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
CID 138535602
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid (CID 55269104) is 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid is Cc1c(O)cccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid?
The InChIKey is RSTFQENCSTWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-7(3-2-4-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid?
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 55269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).