(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid

C9H11NO3 — CID 130654274

IUPAC(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
SMILESCc1cc([C@@H](N)C(=O)O)ccc1O
InChIInChI=1S/C9H11NO3/c1-5-4-6(2-3-7(5)11)8(10)9(12)13/h2-4,8,11H,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRYECLBZQOBSCIW-MRVPVSSYSA-N
MW181.19 g/mol
LogP0.79
Rot. Bonds2

About (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid

(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid (PubChem CID 130654274) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
PubChem CID130654274
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
SMILESCc1cc([C@@H](N)C(=O)O)ccc1O
InChIInChI=1S/C9H11NO3/c1-5-4-6(2-3-7(5)11)8(10)9(12)13/h2-4,8,11H,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRYECLBZQOBSCIW-MRVPVSSYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
(2S)-2-amino-2-(3,4-dihydroxyphenyl)acetic acid
CID 5310986
2,2-bis(4-hydroxy-3-methylphenyl)acetic acid
CID 19899945
(2S)-2-amino-2-(4-bromo-3-methylphenyl)acetic acid
CID 95731754
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
CID 11401421
2-amino-2-(4-hydroxy-3-iodophenyl)acetic acid
CID 24349
3-(4-hydroxy-3-methylphenyl)-2-methylbutanoic acid
CID 20647414
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
2-amino-2-(4-bromo-3-hydroxy-5-methylphenyl)acetic acid
CID 84806320
2-amino-2-(4-amino-3,5-dimethylphenyl)acetic acid
CID 55297559
2-amino-2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid
CID 84710017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid (CID 130654274) is (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid is Cc1cc([C@@H](N)C(=O)O)ccc1O.
What is the InChIKey of (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid?
The InChIKey is RYECLBZQOBSCIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-6(2-3-7(5)11)8(10)9(12)13/h2-4,8,11H,10H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid?
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 130654274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).