tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

C50H102N18O27 — CID 173198136

About tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid

tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 173198136) has the molecular formula C50H102N18O27 and a molecular weight of 1387.46 g/mol. Its IUPAC name is tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

• Compound Name: tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
• PubChem CID: 173198136
• Molecular Formula: C50H102N18O27
• Molecular Weight: 1387.46 g/mol
• Exact Mass: 1386.72
• IUPAC Name: tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
• SMILES: CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O
• InChI: InChI=1S/2C6H9N3O2.C6H14N2O2.C6H13NO2.C5H10N2O3.C5H11NO2.C4H7NO4.2C3H7NO2.3C2H5NO2/c2*7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;2*1-2(4)3(5)6;3*3-1-2(4)5/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2*2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5)/t4*5-;3-;4-;3*2-;;;/m000000000.../s1
• InChIKey: GYDQVUQOJIBRPC-LARUIQDGSA-N
• XLogP: -7.78
• TPSA: 923.61 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1387.46
LogP ≤ 5	-7.78
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?

The IUPAC name of tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid (CID 173198136) is tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

What is the SMILES notation for tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?

The canonical SMILES for tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.

What is the InChIKey of tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?

The InChIKey is GYDQVUQOJIBRPC-LARUIQDGSA-N. The full InChI is InChI=1S/2C6H9N3O2.C6H14N2O2.C6H13NO2.C5H10N2O3.C5H11NO2.C4H7NO4.2C3H7NO2.3C2H5NO2/c2*7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;2*1-2(4)3(5)6;3*3-1-2(4)5/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9);2*2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5)/t4*5-;3-;4-;3*2-;;;/m000000000.../s1.

What are the key properties of tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid?

tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 1387.46 g/mol, XLogP of -7.78, 28 rotatable bonds, 29 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-aminoacetic acid);(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 173198136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).