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

C12H18N4O4 — CID 102742476

IUPAC3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H18N4O4/c1-2-7(6-9(17)18)14-11(19)10-15-12(20-16-10)8-4-3-5-13-8/h7-8,13H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyYXFZZANYLYQPLG-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.48
Rot. Bonds6

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

3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid (PubChem CID 102742476) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
PubChem CID102742476
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H18N4O4/c1-2-7(6-9(17)18)14-11(19)10-15-12(20-16-10)8-4-3-5-13-8/h7-8,13H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyYXFZZANYLYQPLG-UHFFFAOYSA-N
XLogP0.48
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid (CID 102742476) is 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid is CCC(CC(=O)O)NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is YXFZZANYLYQPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-7(6-9(17)18)14-11(19)10-15-12(20-16-10)8-4-3-5-13-8/h7-8,13H,2-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 102742476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).