(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid

C14H28N4O6 — CID 20637825

About (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid

(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid (PubChem CID 20637825) has the molecular formula C14H28N4O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid
• PubChem CID: 20637825
• Molecular Formula: C14H28N4O6
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.20
• IUPAC Name: (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid
• SMILES: CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O.C[C@@H](N)C(=O)O
• InChI: InChI=1S/C11H21N3O4.C3H7NO2/c1-7(11(17)18)13-10(16)9(14-8(2)15)5-3-4-6-12;1-2(4)3(5)6/h7,9H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18);2H,4H2,1H3,(H,5,6)/t7-,9+;2-/m11/s1
• InChIKey: NHZXLNUGODQWTD-RYDIRNQTSA-N
• XLogP: -1.37
• TPSA: 184.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	-1.37
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 (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid?

The IUPAC name of (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid (CID 20637825) is (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid.

What is the SMILES notation for (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid?

The canonical SMILES for (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid is CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O.C[C@@H](N)C(=O)O.

What is the InChIKey of (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid?

The InChIKey is NHZXLNUGODQWTD-RYDIRNQTSA-N. The full InChI is InChI=1S/C11H21N3O4.C3H7NO2/c1-7(11(17)18)13-10(16)9(14-8(2)15)5-3-4-6-12;1-2(4)3(5)6/h7,9H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18);2H,4H2,1H3,(H,5,6)/t7-,9+;2-/m11/s1.

What are the key properties of (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid?

(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid has a molecular weight of 348.40 g/mol, XLogP of -1.37, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid is sourced from PubChem (CID 20637825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).