(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide

C16H30N4O2 — CID 59124552

IUPAC(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide
SMILESCC[C@@H](/C=N/C)NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC)C1=O
InChIInChI=1S/C16H30N4O2/c1-6-12(10-17-4)19-15(21)14(9-11(2)3)20-8-7-13(18-5)16(20)22/h10-14,18H,6-9H2,1-5H3,(H,19,21)/b17-10+/t12-,13+,14-/m0/s1
InChIKeyPJHCKTJONHVVJJ-ZJZRUJOCSA-N
MW310.44 g/mol
LogP0.82
Rot. Bonds8

About (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide

(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide (PubChem CID 59124552) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide
PubChem CID59124552
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide
SMILESCC[C@@H](/C=N/C)NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC)C1=O
InChIInChI=1S/C16H30N4O2/c1-6-12(10-17-4)19-15(21)14(9-11(2)3)20-8-7-13(18-5)16(20)22/h10-14,18H,6-9H2,1-5H3,(H,19,21)/b17-10+/t12-,13+,14-/m0/s1
InChIKeyPJHCKTJONHVVJJ-ZJZRUJOCSA-N
XLogP0.82
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide (CID 59124552) is (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide is CC[C@@H](/C=N/C)NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC)C1=O.
What is the InChIKey of (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide?
The InChIKey is PJHCKTJONHVVJJ-ZJZRUJOCSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-6-12(10-17-4)19-15(21)14(9-11(2)3)20-8-7-13(18-5)16(20)22/h10-14,18H,6-9H2,1-5H3,(H,19,21)/b17-10+/t12-,13+,14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide?
(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide has a molecular weight of 310.44 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide is sourced from PubChem (CID 59124552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).