2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid

C62H132N30O24S2 — CID 174545303

About 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid

2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 174545303) has the molecular formula C62H132N30O24S2 and a molecular weight of 1746.06 g/mol. Its IUPAC name is 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
• PubChem CID: 174545303
• Molecular Formula: C62H132N30O24S2
• Molecular Weight: 1746.06 g/mol
• Exact Mass: 1744.95
• IUPAC Name: 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
• SMILES: CSCC[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
• InChI: InChI=1S/C9H11NO3.6C6H14N4O2.C5H10N2O3.2C5H11NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6*7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8;2*1-9-3-2-4(6)5(7)8;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);6*4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10);2*4H,2-3,6H2,1H3,(H,7,8);1,3H2,(H,4,5)/t8-;6*4-;3-;2*4-;/m0000000000./s1
• InChIKey: CSARZIMRTIBJPK-QGPZFRHOSA-N
• XLogP: -10.95
• TPSA: 1146.24 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1746.06
LogP ≤ 5	-10.95
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	32

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 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid?

The IUPAC name of 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid (CID 174545303) is 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid.

What is the SMILES notation for 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid?

The canonical SMILES for 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid is CSCC[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid?

The InChIKey is CSARZIMRTIBJPK-QGPZFRHOSA-N. The full InChI is InChI=1S/C9H11NO3.6C6H14N4O2.C5H10N2O3.2C5H11NO2S.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6*7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8;2*1-9-3-2-4(6)5(7)8;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);6*4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10);2*4H,2-3,6H2,1H3,(H,7,8);1,3H2,(H,4,5)/t8-;6*4-;3-;2*4-;/m0000000000./s1.

What are the key properties of 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid?

2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 1746.06 g/mol, XLogP of -10.95, 46 rotatable bonds, 36 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174545303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).