1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

C19H32N4O5 — CID 144547793

About 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 144547793) has the molecular formula C19H32N4O5 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
• PubChem CID: 144547793
• Molecular Formula: C19H32N4O5
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.24
• IUPAC Name: 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
• SMILES: CNCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC(C)C)C(=O)C1(C)CO1
• InChI: InChI=1S/C19H32N4O5/c1-12(2)8-13(17(26)19(3)11-28-19)22-15(24)9-21-18(27)14-6-5-7-23(14)16(25)10-20-4/h12-14,20H,5-11H2,1-4H3,(H,21,27)(H,22,24)
• InChIKey: ZLAQTQIEZUTJLT-UHFFFAOYSA-N
• XLogP: -0.80
• TPSA: 120.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	-0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 144547793) is 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide is CNCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC(C)C)C(=O)C1(C)CO1.

What is the InChIKey of 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?

The InChIKey is ZLAQTQIEZUTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5/c1-12(2)8-13(17(26)19(3)11-28-19)22-15(24)9-21-18(27)14-6-5-7-23(14)16(25)10-20-4/h12-14,20H,5-11H2,1-4H3,(H,21,27)(H,22,24).

What are the key properties of 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?

1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of -0.80, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(methylamino)acetyl]-N-[2-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144547793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).