methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate

C11H18N4O3 — CID 55005715

IUPACmethyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(C)n1cncn1
InChIInChI=1S/C11H18N4O3/c1-4-5-14(6-10(16)18-3)11(17)9(2)15-8-12-7-13-15/h7-9H,4-6H2,1-3H3
InChIKeyVWROEKJDDZEMJT-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.25
Rot. Bonds6

About methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate

methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate (PubChem CID 55005715) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
PubChem CID55005715
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(C)n1cncn1
InChIInChI=1S/C11H18N4O3/c1-4-5-14(6-10(16)18-3)11(17)9(2)15-8-12-7-13-15/h7-9H,4-6H2,1-3H3
InChIKeyVWROEKJDDZEMJT-UHFFFAOYSA-N
XLogP0.25
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668
N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide
CID 60807791
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
CID 55148837
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
ethyl 2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoate
CID 54960602
(2S)-4-methoxy-4-oxo-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 63307021
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106629632
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 107202215
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate (CID 55005715) is methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate is CCCN(CC(=O)OC)C(=O)C(C)n1cncn1.
What is the InChIKey of methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
The InChIKey is VWROEKJDDZEMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-5-14(6-10(16)18-3)11(17)9(2)15-8-12-7-13-15/h7-9H,4-6H2,1-3H3.
What are the key properties of methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate?
methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate has a molecular weight of 254.29 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate is sourced from PubChem (CID 55005715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).