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

C13H19N3O4 — CID 83080451

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

2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 83080451) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 83080451
• Molecular Formula: C13H19N3O4
• Molecular Weight: 281.31 g/mol
• Exact Mass: 281.14
• IUPAC Name: 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
• SMILES: CCC1(C(=O)O)CCCN1CC(=O)Nc1cc(C)on1
• InChI: InChI=1S/C13H19N3O4/c1-3-13(12(18)19)5-4-6-16(13)8-11(17)14-10-7-9(2)20-15-10/h7H,3-6,8H2,1-2H3,(H,18,19)(H,14,15,17)
• InChIKey: KFDJJDMHOQMEJV-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 95.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.31
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 83080451) is 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CC(=O)Nc1cc(C)on1.

What is the InChIKey of 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?

The InChIKey is KFDJJDMHOQMEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-13(12(18)19)5-4-6-16(13)8-11(17)14-10-7-9(2)20-15-10/h7H,3-6,8H2,1-2H3,(H,18,19)(H,14,15,17).

What are the key properties of 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?

2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).