2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid

C7H9N3O4S — CID 84694364

IUPAC2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid
SMILESCS(=O)(=O)c1nccc(C(N)C(=O)O)n1
InChIInChI=1S/C7H9N3O4S/c1-15(13,14)7-9-3-2-4(10-7)5(8)6(11)12/h2-3,5H,8H2,1H3,(H,11,12)
InChIKeyUDLHUCVFKBYZAG-UHFFFAOYSA-N
MW231.23 g/mol
LogP-1.04
Rot. Bonds3

About 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid

2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid (PubChem CID 84694364) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid
PubChem CID84694364
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid
SMILESCS(=O)(=O)c1nccc(C(N)C(=O)O)n1
InChIInChI=1S/C7H9N3O4S/c1-15(13,14)7-9-3-2-4(10-7)5(8)6(11)12/h2-3,5H,8H2,1H3,(H,11,12)
InChIKeyUDLHUCVFKBYZAG-UHFFFAOYSA-N
XLogP-1.04
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 84670120
2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol
CID 84682670
2-amino-2-(2-chloropyrimidin-4-yl)acetic acid
CID 134264029
4-(dimethoxymethyl)-2-methylsulfonylpyrimidine;2-methylsulfonylpyrimidine-4-carbaldehyde
CID 162222851
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468
4,6-bis(2-methylsulfonylpyrimidin-4-yl)-1,3,5-triazine-2-carboxylic acid
CID 167248209
2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
CID 159327142
2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid
CID 105439289
2-amino-2-(5-bromo-6-chloro-2-pyridinyl)acetic acid
CID 83902385
4-cyclobutyl-2-methylsulfonylpyrimidine
CID 82394382

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid (CID 84694364) is 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid is CS(=O)(=O)c1nccc(C(N)C(=O)O)n1.
What is the InChIKey of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid?
The InChIKey is UDLHUCVFKBYZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-15(13,14)7-9-3-2-4(10-7)5(8)6(11)12/h2-3,5H,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid?
2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid has a molecular weight of 231.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 84694364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).