N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide

C17H33N3O2 — CID 119599238

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)N1CC(C(=O)NC(C)(CN)CC(C)C)CC1=O
InChIInChI=1S/C17H33N3O2/c1-6-7-13(4)20-10-14(8-15(20)21)16(22)19-17(5,11-18)9-12(2)3/h12-14H,6-11,18H2,1-5H3,(H,19,22)
InChIKeyGLNJFSSVQJWIAJ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.90
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide (PubChem CID 119599238) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
PubChem CID119599238
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)N1CC(C(=O)NC(C)(CN)CC(C)C)CC1=O
InChIInChI=1S/C17H33N3O2/c1-6-7-13(4)20-10-14(8-15(20)21)16(22)19-17(5,11-18)9-12(2)3/h12-14H,6-11,18H2,1-5H3,(H,19,22)
InChIKeyGLNJFSSVQJWIAJ-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide (CID 119599238) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide is CCCC(C)N1CC(C(=O)NC(C)(CN)CC(C)C)CC1=O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GLNJFSSVQJWIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-7-13(4)20-10-14(8-15(20)21)16(22)19-17(5,11-18)9-12(2)3/h12-14H,6-11,18H2,1-5H3,(H,19,22).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119599238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).