2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid

C10H13NO2S — CID 117302066

IUPAC2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid
SMILESCSc1ccc(C(N)C(=O)O)c(C)c1
InChIInChI=1S/C10H13NO2S/c1-6-5-7(14-2)3-4-8(6)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)
InChIKeyZGDBXQIVGJVOCW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid

2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid (PubChem CID 117302066) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid
PubChem CID117302066
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid
SMILESCSc1ccc(C(N)C(=O)O)c(C)c1
InChIInChI=1S/C10H13NO2S/c1-6-5-7(14-2)3-4-8(6)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)
InChIKeyZGDBXQIVGJVOCW-UHFFFAOYSA-N
XLogP1.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2-methyl-4-methylsulfanylphenyl)propanoic acid
CID 117324132
(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid
CID 124634757
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
CID 130742230
3-amino-3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 117355526
2-amino-2-(5-chloro-2-methylsulfanylphenyl)acetic acid
CID 84695213
3-(2-methyl-4-methylsulfanylphenyl)butan-1-amine
CID 117299558
2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
CID 84785718
2-amino-2-(6-amino-4-methyl-3-pyridinyl)acetic acid
CID 55295400
3-[(S)-amino(carboxy)methyl]-4-methylbenzoic acid
CID 66510614
2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
CID 84805752
2-amino-2-(2-hydroxy-3-methylsulfanylphenyl)acetic acid
CID 77128813
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
CID 117364578

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid (CID 117302066) is 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid is CSc1ccc(C(N)C(=O)O)c(C)c1.
What is the InChIKey of 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid?
The InChIKey is ZGDBXQIVGJVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-5-7(14-2)3-4-8(6)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid?
2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid has a molecular weight of 211.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid is sourced from PubChem (CID 117302066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).