(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid

C10H13NO3 — CID 124510338

IUPAC(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1[C@@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C10H13NO3/c1-6-4-2-3-5-7(6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyVFZRMUSJGAGTPL-BDAKNGLRSA-N
MW195.22 g/mol
LogP0.44
Rot. Bonds3

About (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid

(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid (PubChem CID 124510338) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
PubChem CID124510338
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1[C@@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C10H13NO3/c1-6-4-2-3-5-7(6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyVFZRMUSJGAGTPL-BDAKNGLRSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 79472078
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
acetic acid;(2-methylphenyl)methanediol
CID 71361235
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid (CID 124510338) is (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid is Cc1ccccc1[C@@H](N)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid?
The InChIKey is VFZRMUSJGAGTPL-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-4-2-3-5-7(6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid?
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 124510338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).