(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid

C9H11N3O3S — CID 107775218

IUPAC(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSc1ncccn1)C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-6(13)12-7(8(14)15)5-16-9-10-3-2-4-11-9/h2-4,7H,5H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyLPZUYZWCSAJIBD-ZETCQYMHSA-N
MW241.27 g/mol
LogP0.16
Rot. Bonds5

About (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid

(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid (PubChem CID 107775218) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid
PubChem CID107775218
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSc1ncccn1)C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-6(13)12-7(8(14)15)5-16-9-10-3-2-4-11-9/h2-4,7H,5H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyLPZUYZWCSAJIBD-ZETCQYMHSA-N
XLogP0.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
(2R)-2-acetamido-3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 107775229
2-acetamido-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid
CID 64581096
2-acetamido-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 107768555
2-acetamido-3-[(4-methyl-2-pyridinyl)sulfanyl]propanoic acid
CID 107768382
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-3-[(3-methyl-2-pyridinyl)methylsulfanyl]propanoic acid
CID 112650448
2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
CID 107768364
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 64583484
(2R)-2-acetamido-3-(5-iodopyrimidin-4-yl)sulfanylpropanoic acid
CID 107775365

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid (CID 107775218) is (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid is CC(=O)N[C@@H](CSc1ncccn1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid?
The InChIKey is LPZUYZWCSAJIBD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-6(13)12-7(8(14)15)5-16-9-10-3-2-4-11-9/h2-4,7H,5H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid?
(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 107775218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).