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

C11H16N2O4 — CID 66189756

IUPAC1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCOCc1cc(CN2CCC(C(=O)O)C2)no1
InChIInChI=1S/C11H16N2O4/c1-16-7-10-4-9(12-17-10)6-13-3-2-8(5-13)11(14)15/h4,8H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyMPSXSDXIAHYGCR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.73
Rot. Bonds5

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

1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 66189756) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID66189756
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCOCc1cc(CN2CCC(C(=O)O)C2)no1
InChIInChI=1S/C11H16N2O4/c1-16-7-10-4-9(12-17-10)6-13-3-2-8(5-13)11(14)15/h4,8H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyMPSXSDXIAHYGCR-UHFFFAOYSA-N
XLogP0.73
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid (CID 66189756) is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid is COCc1cc(CN2CCC(C(=O)O)C2)no1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MPSXSDXIAHYGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-7-10-4-9(12-17-10)6-13-3-2-8(5-13)11(14)15/h4,8H,2-3,5-7H2,1H3,(H,14,15).
What are the key properties of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid?
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66189756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).