1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

C9H13N3O3 — CID 43441669

IUPAC1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCC2C(=O)O)o1
InChIInChI=1S/C9H13N3O3/c1-6-10-11-8(15-6)5-12-4-2-3-7(12)9(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyKNLYGCYKTNFVSP-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.43
Rot. Bonds3

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

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441669) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43441669
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCC2C(=O)O)o1
InChIInChI=1S/C9H13N3O3/c1-6-10-11-8(15-6)5-12-4-2-3-7(12)9(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyKNLYGCYKTNFVSP-UHFFFAOYSA-N
XLogP0.43
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019770
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371917
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442068
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
2-[(2-ethylazetidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 131008545
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119909283
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 122558218
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43441669) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1nnc(CN2CCCC2C(=O)O)o1.
What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KNLYGCYKTNFVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-10-11-8(15-6)5-12-4-2-3-7(12)9(13)14/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).