(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid

C11H15NO2 — CID 14598183

IUPAC(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C11H15NO2/c1-7-5-3-4-6-9(7)8(2)10(12)11(13)14/h3-6,8,10H,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyWLKQYWCVYKPBNI-WPRPVWTQSA-N
MW193.25 g/mol
LogP1.51
Rot. Bonds3

About (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid

(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid (PubChem CID 14598183) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
PubChem CID14598183
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C11H15NO2/c1-7-5-3-4-6-9(7)8(2)10(12)11(13)14/h3-6,8,10H,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyWLKQYWCVYKPBNI-WPRPVWTQSA-N
XLogP1.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(2-methylphenyl)pentanoic acid
CID 69407204
2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
CID 138535573
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
CID 168884973
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
CID 138535537
N-[3-(2-methylphenyl)butan-2-yl]acetamide
CID 20708272

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid (CID 14598183) is (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid is Cc1ccccc1[C@H](C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid?
The InChIKey is WLKQYWCVYKPBNI-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-3-4-6-9(7)8(2)10(12)11(13)14/h3-6,8,10H,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid?
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid is sourced from PubChem (CID 14598183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).