ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate

C11H18N4O4 — CID 62688530

IUPACethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1nonc1N
InChIInChI=1S/C11H18N4O4/c1-4-18-8(16)6-15(5-7(2)3)11(17)9-10(12)14-19-13-9/h7H,4-6H2,1-3H3,(H2,12,14)
InChIKeyPPHDHKZUVLYGPX-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.31
Rot. Bonds6

About ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate (PubChem CID 62688530) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate
PubChem CID62688530
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1nonc1N
InChIInChI=1S/C11H18N4O4/c1-4-18-8(16)6-15(5-7(2)3)11(17)9-10(12)14-19-13-9/h7H,4-6H2,1-3H3,(H2,12,14)
InChIKeyPPHDHKZUVLYGPX-UHFFFAOYSA-N
XLogP0.31
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate (CID 62688530) is ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)c1nonc1N.
What is the InChIKey of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
The InChIKey is PPHDHKZUVLYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-4-18-8(16)6-15(5-7(2)3)11(17)9-10(12)14-19-13-9/h7H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate has a molecular weight of 270.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 62688530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).