methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate

C11H18N4O3 — CID 43422748

IUPACmethyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1cncn1
InChIInChI=1S/C11H18N4O3/c1-8(2)4-9(11(17)18-3)14-10(16)5-15-7-12-6-13-15/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyLSNLWTVPOWATAF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.02
Rot. Bonds6

About methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate (PubChem CID 43422748) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate
PubChem CID43422748
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1cncn1
InChIInChI=1S/C11H18N4O3/c1-8(2)4-9(11(17)18-3)14-10(16)5-15-7-12-6-13-15/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyLSNLWTVPOWATAF-UHFFFAOYSA-N
XLogP-0.02
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate (CID 43422748) is methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)Cn1cncn1.
What is the InChIKey of methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate?
The InChIKey is LSNLWTVPOWATAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(2)4-9(11(17)18-3)14-10(16)5-15-7-12-6-13-15/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate has a molecular weight of 254.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 43422748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).