2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid

C11H19N5O3 — CID 63331249

IUPAC2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCc1nncn1C)C(=O)O
InChIInChI=1S/C11H19N5O3/c1-8(10(17)18)6-15(2)11(19)12-5-4-9-14-13-7-16(9)3/h7-8H,4-6H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyRJMINFJXCOLTEU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.28
Rot. Bonds6

About 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 63331249) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID63331249
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCc1nncn1C)C(=O)O
InChIInChI=1S/C11H19N5O3/c1-8(10(17)18)6-15(2)11(19)12-5-4-9-14-13-7-16(9)3/h7-8H,4-6H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyRJMINFJXCOLTEU-UHFFFAOYSA-N
XLogP-0.28
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid (CID 63331249) is 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid is CC(CN(C)C(=O)NCCc1nncn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is RJMINFJXCOLTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-8(10(17)18)6-15(2)11(19)12-5-4-9-14-13-7-16(9)3/h7-8H,4-6H2,1-3H3,(H,12,19)(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 63331249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).