2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid

C10H13N3O5 — CID 64581120

IUPAC2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1c(=O)ccn(C)c1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6(14)11-7(9(16)17)5-13-8(15)3-4-12(2)10(13)18/h3-4,7H,5H2,1-2H3,(H,11,14)(H,16,17)
InChIKeyXUPDWTWDLHCENU-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.86
Rot. Bonds4

About 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid

2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 64581120) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
PubChem CID64581120
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1c(=O)ccn(C)c1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6(14)11-7(9(16)17)5-13-8(15)3-4-12(2)10(13)18/h3-4,7H,5H2,1-2H3,(H,11,14)(H,16,17)
InChIKeyXUPDWTWDLHCENU-UHFFFAOYSA-N
XLogP-1.86
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 447196
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CID 5123
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CID 4479246
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CID 1272738
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CID 25200769
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CID 78224694
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CID 11095939
CID 11095939
CID 11076522
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CID 10363391
CID 10363391
CID 510393
CID 510393

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid (CID 64581120) is 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid is CC(=O)NC(Cn1c(=O)ccn(C)c1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is XUPDWTWDLHCENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(14)11-7(9(16)17)5-13-8(15)3-4-12(2)10(13)18/h3-4,7H,5H2,1-2H3,(H,11,14)(H,16,17).
What are the key properties of 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 64581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).