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

C13H21N3O4 — CID 154746588

IUPAC2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1Cc1noc(C(C)C)n1
InChIInChI=1S/C13H21N3O4/c1-9(2)11-14-10(15-20-11)7-16-6-4-5-13(16,8-19-3)12(17)18/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyQDODEGLVUVPBDS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.26
Rot. Bonds6

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

2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 154746588) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID154746588
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1Cc1noc(C(C)C)n1
InChIInChI=1S/C13H21N3O4/c1-9(2)11-14-10(15-20-11)7-16-6-4-5-13(16,8-19-3)12(17)18/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyQDODEGLVUVPBDS-UHFFFAOYSA-N
XLogP1.26
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 154746588) is 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is COCC1(C(=O)O)CCCN1Cc1noc(C(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QDODEGLVUVPBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9(2)11-14-10(15-20-11)7-16-6-4-5-13(16,8-19-3)12(17)18/h9H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154746588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).