(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid

C9H11NO2S — CID 130742230

IUPAC(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
SMILESCSc1ccccc1[C@@H](N)C(=O)O
InChIInChI=1S/C9H11NO2S/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyXLFWPOYEJYUFBL-MRVPVSSYSA-N
MW197.26 g/mol
LogP1.49
Rot. Bonds3

About (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid

(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid (PubChem CID 130742230) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
PubChem CID130742230
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
SMILESCSc1ccccc1[C@@H](N)C(=O)O
InChIInChI=1S/C9H11NO2S/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyXLFWPOYEJYUFBL-MRVPVSSYSA-N
XLogP1.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-hydroxy-3-methylsulfanylphenyl)acetic acid
CID 77128813
2-amino-2-(5-chloro-2-methylsulfanylphenyl)acetic acid
CID 84695213
2-amino-2-(2-methylsulfanyl-3-methylsulfonylphenyl)acetic acid
CID 117440393
2-amino-2-[2-(2,2-difluoroethylsulfanyl)phenyl]acetic acid
CID 84803321
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
2-amino-2-(2-tert-butylphenyl)acetic acid
CID 77127946
2-(2-acetamidophenyl)-2-aminoacetic acid
CID 21317152
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid
CID 117302066
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid (CID 130742230) is (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid is CSc1ccccc1[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid?
The InChIKey is XLFWPOYEJYUFBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid?
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid has a molecular weight of 197.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid is sourced from PubChem (CID 130742230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).