(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid

C12H24N4O6 — CID 71359750

About (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid (PubChem CID 71359750) has the molecular formula C12H24N4O6 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
• PubChem CID: 71359750
• Molecular Formula: C12H24N4O6
• Molecular Weight: 320.35 g/mol
• Exact Mass: 320.17
• IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
• SMILES: NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)O
• InChI: InChI=1S/C12H24N4O6/c13-4-2-1-3-8(12(21)22)15-11(20)9(6-18)16-10(19)7(14)5-17/h7-9,17-18H,1-6,13-14H2,(H,15,20)(H,16,19)(H,21,22)/t7-,8-,9-/m0/s1
• InChIKey: OZPDGESCTGGNAD-CIUDSAMLSA-N
• XLogP: -3.52
• TPSA: 188.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.35
LogP ≤ 5	-3.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid?

The IUPAC name of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid (CID 71359750) is (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid.

What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid?

The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid is NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)O.

What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid?

The InChIKey is OZPDGESCTGGNAD-CIUDSAMLSA-N. The full InChI is InChI=1S/C12H24N4O6/c13-4-2-1-3-8(12(21)22)15-11(20)9(6-18)16-10(19)7(14)5-17/h7-9,17-18H,1-6,13-14H2,(H,15,20)(H,16,19)(H,21,22)/t7-,8-,9-/m0/s1.

What are the key properties of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid?

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid has a molecular weight of 320.35 g/mol, XLogP of -3.52, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid is sourced from PubChem (CID 71359750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).