(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid

C23H52N6O11 — CID 173126229

About (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid (PubChem CID 173126229) has the molecular formula C23H52N6O11 and a molecular weight of 588.70 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid
• PubChem CID: 173126229
• Molecular Formula: C23H52N6O11
• Molecular Weight: 588.70 g/mol
• Exact Mass: 588.37
• IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid
• SMILES: CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O
• InChI: InChI=1S/C6H14N2O2.C6H13NO2.C5H11NO2.C3H7NO3.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t5-;4-,5-;4-;2*2-/m00000/s1
• InChIKey: PIUKZFXJXWBKCJ-HKTDTPDMSA-N
• XLogP: -2.17
• TPSA: 362.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	588.70
LogP ≤ 5	-2.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid?

The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid (CID 173126229) is (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid.

What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid?

The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid is CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.

What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid?

The InChIKey is PIUKZFXJXWBKCJ-HKTDTPDMSA-N. The full InChI is InChI=1S/C6H14N2O2.C6H13NO2.C5H11NO2.C3H7NO3.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8;4-2(1-5)3(6)7;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8);2,5H,1,4H2,(H,6,7);2H,4H2,1H3,(H,5,6)/t5-;4-,5-;4-;2*2-/m00000/s1.

What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid?

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid has a molecular weight of 588.70 g/mol, XLogP of -2.17, 13 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid is sourced from PubChem (CID 173126229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).