1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C12H16N2O4 — CID 79225733

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1C(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H16N2O4/c1-6-11(8(3)18-13-6)7(2)14-5-9(12(16)17)4-10(14)15/h7,9H,4-5H2,1-3H3,(H,16,17)
InChIKeyWDAXZNWSPAIZGG-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.29
Rot. Bonds3

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 79225733) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID79225733
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1C(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H16N2O4/c1-6-11(8(3)18-13-6)7(2)14-5-9(12(16)17)4-10(14)15/h7,9H,4-5H2,1-3H3,(H,16,17)
InChIKeyWDAXZNWSPAIZGG-UHFFFAOYSA-N
XLogP1.29
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 79225733) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1noc(C)c1C(C)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is WDAXZNWSPAIZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6-11(8(3)18-13-6)7(2)14-5-9(12(16)17)4-10(14)15/h7,9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79225733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).