(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C92H193N27O41 — CID 174778549

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 174778549) has the molecular formula C92H193N27O41 and a molecular weight of 2333.70 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 174778549
• Molecular Formula: C92H193N27O41
• Molecular Weight: 2333.70 g/mol
• Exact Mass: 2332.38
• IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C6H14N4O2.2C6H9N3O2.C6H14N2O2.6C6H13NO2.C5H9NO2.2C5H11NO2.C4H8N2O3.C4H9NO3.3C3H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;2*7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8)6(9)10;6*1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;3*4-2(1-5)3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*2-3,5H,1,7H2,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10);6*4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);3*2,5H,1,4H2,(H,6,7)/t4-;9*5-;3*4-;2-;2-,3+;3*2-/m000000000000001000/s1
• InChIKey: MXCSMUXIRQXZLX-ARFCURNGSA-N
• XLogP: -8.47
• TPSA: 1397.56 Ų
• H-Bond Donors: 46
• H-Bond Acceptors: 45
• Rotatable Bonds: 50
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.70
LogP ≤ 5	-8.47
H-Bond Donors ≤ 5	46
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 174778549) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is MXCSMUXIRQXZLX-ARFCURNGSA-N. The full InChI is InChI=1S/C6H14N4O2.2C6H9N3O2.C6H14N2O2.6C6H13NO2.C5H9NO2.2C5H11NO2.C4H8N2O3.C4H9NO3.3C3H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;2*7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8)6(9)10;6*1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;3*4-2(1-5)3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*2-3,5H,1,7H2,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10);6*4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);3*2,5H,1,4H2,(H,6,7)/t4-;9*5-;3*4-;2-;2-,3+;3*2-/m000000000000001000/s1.

What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 2333.70 g/mol, XLogP of -8.47, 50 rotatable bonds, 46 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174778549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).