(2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid

C13H25N5O5 — CID 145455653

About (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid (PubChem CID 145455653) has the molecular formula C13H25N5O5 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 145455653
• Molecular Formula: C13H25N5O5
• Molecular Weight: 331.37 g/mol
• Exact Mass: 331.19
• IUPAC Name: (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid
• SMILES: NCCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)O
• InChI: InChI=1S/C13H25N5O5/c14-6-2-1-3-8(17-11(20)7-15)12(21)18-9(13(22)23)4-5-10(16)19/h8-9H,1-7,14-15H2,(H2,16,19)(H,17,20)(H,18,21)(H,22,23)/t8-,9-/m0/s1
• InChIKey: FHQRLHFYVZAQHU-IUCAKERBSA-N
• XLogP: -2.61
• TPSA: 190.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	331.37
LogP ≤ 5	-2.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid (CID 145455653) is (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid is NCCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)O.

What is the InChIKey of (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid?

The InChIKey is FHQRLHFYVZAQHU-IUCAKERBSA-N. The full InChI is InChI=1S/C13H25N5O5/c14-6-2-1-3-8(17-11(20)7-15)12(21)18-9(13(22)23)4-5-10(16)19/h8-9H,1-7,14-15H2,(H2,16,19)(H,17,20)(H,18,21)(H,22,23)/t8-,9-/m0/s1.

What are the key properties of (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid?

(2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid has a molecular weight of 331.37 g/mol, XLogP of -2.61, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 145455653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).