methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate

C11H16N4O4 — CID 104970945

IUPACmethyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H16N4O4/c1-6(11(17)18-2)13-9(16)8-14-10(19-15-8)7-4-3-5-12-7/h6-7,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyOYMFAFRELMKMMT-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.21
Rot. Bonds4

About methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate

methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate (PubChem CID 104970945) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
PubChem CID104970945
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H16N4O4/c1-6(11(17)18-2)13-9(16)8-14-10(19-15-8)7-4-3-5-12-7/h6-7,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyOYMFAFRELMKMMT-UHFFFAOYSA-N
XLogP-0.21
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate (CID 104970945) is methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
The InChIKey is OYMFAFRELMKMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6(11(17)18-2)13-9(16)8-14-10(19-15-8)7-4-3-5-12-7/h6-7,12H,3-5H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate has a molecular weight of 268.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 104970945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).