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

C11H19N5O3 — CID 63330531

IUPAC4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCc1nncn1C
InChIInChI=1S/C11H19N5O3/c1-15(7-3-4-10(17)18)11(19)12-6-5-9-14-13-8-16(9)2/h8H,3-7H2,1-2H3,(H,12,19)(H,17,18)
InChIKeyYLAXYFFRNVWLGK-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.14
Rot. Bonds7

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

4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid (PubChem CID 63330531) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid
PubChem CID63330531
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCc1nncn1C
InChIInChI=1S/C11H19N5O3/c1-15(7-3-4-10(17)18)11(19)12-6-5-9-14-13-8-16(9)2/h8H,3-7H2,1-2H3,(H,12,19)(H,17,18)
InChIKeyYLAXYFFRNVWLGK-UHFFFAOYSA-N
XLogP-0.14
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid (CID 63330531) is 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCCc1nncn1C.
What is the InChIKey of 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid?
The InChIKey is YLAXYFFRNVWLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-15(7-3-4-10(17)18)11(19)12-6-5-9-14-13-8-16(9)2/h8H,3-7H2,1-2H3,(H,12,19)(H,17,18).
What are the key properties of 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid?
4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 63330531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).