bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid

C23H54N8O16 — CID 173155231

About bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid

bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid (PubChem CID 173155231) has the molecular formula C23H54N8O16 and a molecular weight of 698.72 g/mol. Its IUPAC name is bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid.

Molecular Properties

• Compound Name: bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid
• PubChem CID: 173155231
• Molecular Formula: C23H54N8O16
• Molecular Weight: 698.72 g/mol
• Exact Mass: 698.37
• IUPAC Name: bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid
• SMILES: C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O
• InChI: InChI=1S/C6H14N2O2.C4H9NO3.C3H7NO3.2C3H7NO2.2C2H5NO2/c7-4-2-1-3-5(8)6(9)10;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;2*1-2(4)3(5)6;2*3-1-2(4)5/h5H,1-4,7-8H2,(H,9,10);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2*2H,4H2,1H3,(H,5,6);2*1,3H2,(H,4,5)/t5-;2-,3+;3*2-;;/m01000../s1
• InChIKey: WIHWHFYWALPBMY-ODKJNIBTSA-N
• XLogP: -6.41
• TPSA: 509.72 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	698.72
LogP ≤ 5	-6.41
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid?

The IUPAC name of bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid (CID 173155231) is bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid.

What is the SMILES notation for bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid?

The canonical SMILES for bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid is C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.

What is the InChIKey of bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid?

The InChIKey is WIHWHFYWALPBMY-ODKJNIBTSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H9NO3.C3H7NO3.2C3H7NO2.2C2H5NO2/c7-4-2-1-3-5(8)6(9)10;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;2*1-2(4)3(5)6;2*3-1-2(4)5/h5H,1-4,7-8H2,(H,9,10);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);2*2H,4H2,1H3,(H,5,6);2*1,3H2,(H,4,5)/t5-;2-,3+;3*2-;;/m01000../s1.

What are the key properties of bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid?

bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid has a molecular weight of 698.72 g/mol, XLogP of -6.41, 13 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-aminoacetic acid);(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid is sourced from PubChem (CID 173155231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).