2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid

C10H15N3O3 — CID 61371917

IUPAC2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCc1nnc(CN2CCCC2CC(=O)O)o1
InChIInChI=1S/C10H15N3O3/c1-7-11-12-9(16-7)6-13-4-2-3-8(13)5-10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyQDHHVMXCCVTXSU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.82
Rot. Bonds4

About 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371917) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371917
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCc1nnc(CN2CCCC2CC(=O)O)o1
InChIInChI=1S/C10H15N3O3/c1-7-11-12-9(16-7)6-13-4-2-3-8(13)5-10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyQDHHVMXCCVTXSU-UHFFFAOYSA-N
XLogP0.82
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 131008545
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019770
2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372299
2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 112641386
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369742
2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067715
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 61371917) is 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid is Cc1nnc(CN2CCCC2CC(=O)O)o1.
What is the InChIKey of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is QDHHVMXCCVTXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-11-12-9(16-7)6-13-4-2-3-8(13)5-10(14)15/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).