(3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid

C15H24N4O6 — CID 59902387

About (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid

(3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid (PubChem CID 59902387) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid
• PubChem CID: 59902387
• Molecular Formula: C15H24N4O6
• Molecular Weight: 356.38 g/mol
• Exact Mass: 356.17
• IUPAC Name: (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid
• SMILES: CNC(=O)[C@H](CC(=O)O)N(C)C(=O)C(C)N1C(=O)N(C)C(C)(C)C1=O
• InChI: InChI=1S/C15H24N4O6/c1-8(19-13(24)15(2,3)18(6)14(19)25)12(23)17(5)9(7-10(20)21)11(22)16-4/h8-9H,7H2,1-6H3,(H,16,22)(H,20,21)/t8?,9-/m0/s1
• InChIKey: NYFWKYDCHQSZAV-GKAPJAKFSA-N
• XLogP: -0.90
• TPSA: 127.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	-0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid?

The IUPAC name of (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid (CID 59902387) is (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid.

What is the SMILES notation for (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid?

The canonical SMILES for (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid is CNC(=O)[C@H](CC(=O)O)N(C)C(=O)C(C)N1C(=O)N(C)C(C)(C)C1=O.

What is the InChIKey of (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid?

The InChIKey is NYFWKYDCHQSZAV-GKAPJAKFSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-8(19-13(24)15(2,3)18(6)14(19)25)12(23)17(5)9(7-10(20)21)11(22)16-4/h8-9H,7H2,1-6H3,(H,16,22)(H,20,21)/t8?,9-/m0/s1.

What are the key properties of (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid?

(3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid has a molecular weight of 356.38 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 59902387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).