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

C11H16N4O5 — CID 107222801

IUPACmethyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H16N4O5/c1-19-11(18)7(16)5-13-9(17)8-14-10(20-15-8)6-3-2-4-12-6/h6-7,12,16H,2-5H2,1H3,(H,13,17)
InChIKeyHWXRMSHRSLNCEE-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.24
Rot. Bonds5

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

methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate (PubChem CID 107222801) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
PubChem CID107222801
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Namemethyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C11H16N4O5/c1-19-11(18)7(16)5-13-9(17)8-14-10(20-15-8)6-3-2-4-12-6/h6-7,12,16H,2-5H2,1H3,(H,13,17)
InChIKeyHWXRMSHRSLNCEE-UHFFFAOYSA-N
XLogP-1.24
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate (CID 107222801) is methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
The InChIKey is HWXRMSHRSLNCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-19-11(18)7(16)5-13-9(17)8-14-10(20-15-8)6-3-2-4-12-6/h6-7,12,16H,2-5H2,1H3,(H,13,17).
What are the key properties of methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate has a molecular weight of 284.27 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 107222801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).