3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid

C9H13N3O3 — CID 116808522

IUPAC3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(N2CCCC2)no1
InChIInChI=1S/C9H13N3O3/c13-8(14)4-3-7-10-9(11-15-7)12-5-1-2-6-12/h1-6H2,(H,13,14)
InChIKeyKYSIINAEDBZMDO-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.69
Rot. Bonds4

About 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid

3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid (PubChem CID 116808522) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
PubChem CID116808522
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(N2CCCC2)no1
InChIInChI=1S/C9H13N3O3/c13-8(14)4-3-7-10-9(11-15-7)12-5-1-2-6-12/h1-6H2,(H,13,14)
InChIKeyKYSIINAEDBZMDO-UHFFFAOYSA-N
XLogP0.69
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 116808513
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
1,1,1-trifluoro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 116808754
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
3-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 141466575
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid (CID 116808522) is 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid is O=C(O)CCc1nc(N2CCCC2)no1.
What is the InChIKey of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
The InChIKey is KYSIINAEDBZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-8(14)4-3-7-10-9(11-15-7)12-5-1-2-6-12/h1-6H2,(H,13,14).
What are the key properties of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 116808522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).