N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide

C₁₄H₂₇N₃O₂ — CID 119661116

About N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119661116) has the molecular formula C₁₄H₂₇N₃O₂ and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 119661116
• Molecular Formula: C₁₄H₂₇N₃O₂
• Molecular Weight: 269.39 g/mol
• Exact Mass: 269.21
• IUPAC Name: N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
• SMILES: CCN1CC(C(=O)N(C)CCC(N)C(C)C)CC1=O
• InChI: InChI=1S/C14H27N3O2/c1-5-17-9-11(8-13(17)18)14(19)16(4)7-6-12(15)10(2)3/h10-12H,5-9,15H2,1-4H3
• InChIKey: GVTXIOHICQPIGB-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.39
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 119661116) is N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)N(C)CCC(N)C(C)C)CC1=O.

What is the InChIKey of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?

The InChIKey is GVTXIOHICQPIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17-9-11(8-13(17)18)14(19)16(4)7-6-12(15)10(2)3/h10-12H,5-9,15H2,1-4H3.

What are the key properties of N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?

N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119661116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119661116 — identifiers, structure, computed properties (public domain)

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