Dipeptamin

C₈H₁₅N₃O₄ — CID 7014883

About Dipeptamin

Dipeptamin (PubChem CID 7014883) has the molecular formula C₈H₁₅N₃O₄ and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxopentanoate.

Molecular Properties

• Compound Name: Dipeptamin
• PubChem CID: 7014883
• Molecular Formula: C₈H₁₅N₃O₄
• Molecular Weight: 217.22 g/mol
• Exact Mass: 217.11
• IUPAC Name: (2S)-5-amino-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxopentanoate
• SMILES: C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]
• InChI: InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
• InChIKey: HJCMDXDYPOUFDY-WHFBIAKZSA-N
• XLogP: -3.88
• TPSA: 139.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.22
LogP ≤ 5	-3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Dipeptamin?

The IUPAC name of Dipeptamin (CID 7014883) is (2S)-5-amino-2-[[(2S)-2-azaniumylpropanoyl]amino]-5-oxopentanoate.

What is the SMILES notation for Dipeptamin?

The canonical SMILES for Dipeptamin is C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)[O-].

What is the InChIKey of Dipeptamin?

The InChIKey is HJCMDXDYPOUFDY-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1.

What are the key properties of Dipeptamin?

Dipeptamin has a molecular weight of 217.22 g/mol, XLogP of -3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dipeptamin is sourced from PubChem (CID 7014883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7014883 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4319 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.