2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid

C10H13N3O6 — CID 119358190

IUPAC2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H13N3O6/c1-5(9(17)18)11(2)6(14)4-13-8(16)7(15)12(3)10(13)19/h5H,4H2,1-3H3,(H,17,18)
InChIKeyPMHIPCSFGBTFIM-UHFFFAOYSA-N
MW271.23 g/mol
LogP-1.66
Rot. Bonds4

About 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid

2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 119358190) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
PubChem CID119358190
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H13N3O6/c1-5(9(17)18)11(2)6(14)4-13-8(16)7(15)12(3)10(13)19/h5H,4H2,1-3H3,(H,17,18)
InChIKeyPMHIPCSFGBTFIM-UHFFFAOYSA-N
XLogP-1.66
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid (CID 119358190) is 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is PMHIPCSFGBTFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-5(9(17)18)11(2)6(14)4-13-8(16)7(15)12(3)10(13)19/h5H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of -1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119358190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).