(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid

C10H13N3O5S — CID 107775172

IUPAC(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
SMILESCOc1c(SC[C@H](NC(C)=O)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O5S/c1-5(14)13-6(10(16)17)3-19-9-7(18-2)8(15)11-4-12-9/h4,6H,3H2,1-2H3,(H,13,14)(H,16,17)(H,11,12,15)/t6-/m0/s1
InChIKeyALMLKTNAKBEYKX-LURJTMIESA-N
MW287.30 g/mol
LogP-0.54
Rot. Bonds6

About (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid

(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid (PubChem CID 107775172) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
PubChem CID107775172
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
SMILESCOc1c(SC[C@H](NC(C)=O)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O5S/c1-5(14)13-6(10(16)17)3-19-9-7(18-2)8(15)11-4-12-9/h4,6H,3H2,1-2H3,(H,13,14)(H,16,17)(H,11,12,15)/t6-/m0/s1
InChIKeyALMLKTNAKBEYKX-LURJTMIESA-N
XLogP-0.54
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 107768367
2-acetamido-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
CID 107768374
(2R)-2-acetamido-3-pyrimidin-2-ylsulfanylpropanoic acid
CID 107775218
2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
CID 107768364
(2R)-2-acetamido-3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 107775229
2-acetamido-3-(4-acetylsulfanyl-1H-imidazol-5-yl)propanoic acid
CID 123268330
(2R)-2-acetamido-3-(5-iodopyrimidin-4-yl)sulfanylpropanoic acid
CID 107775365
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)sulfanyl]acetate
CID 114791103
(2R)-2-acetamido-3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]propanoic acid
CID 107774788
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid (CID 107775172) is (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid is COc1c(SC[C@H](NC(C)=O)C(=O)O)nc[nH]c1=O.
What is the InChIKey of (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid?
The InChIKey is ALMLKTNAKBEYKX-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-5(14)13-6(10(16)17)3-19-9-7(18-2)8(15)11-4-12-9/h4,6H,3H2,1-2H3,(H,13,14)(H,16,17)(H,11,12,15)/t6-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid?
(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid has a molecular weight of 287.30 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 107775172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).