2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid

C64H138N32O24 — CID 174548217

About 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,6-diaminohexanoic 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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 174548217) has the molecular formula C64H138N32O24 and a molecular weight of 1740.01 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)-2,6-diaminohexanoic 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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
• PubChem CID: 174548217
• Molecular Formula: C64H138N32O24
• Molecular Weight: 1740.01 g/mol
• Exact Mass: 1739.06
• IUPAC Name: 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
• SMILES: 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.NCCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
• InChI: InChI=1S/C9H11NO3.6C6H14N4O2.2C6H14N2O2.C5H10N2O3.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;2*7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(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);2*5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10);1,3H2,(H,4,5)/t8-;6*4-;2*5-;3-;/m0000000000./s1
• InChIKey: ZHXGYGQTDKGFPU-PVIIAGQHSA-N
• XLogP: -12.19
• TPSA: 1198.28 Ų
• H-Bond Donors: 38
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.01
LogP ≤ 5	-12.19
H-Bond Donors ≤ 5	38
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)-2,6-diaminohexanoic 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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid (CID 174548217) is 2-aminoacetic acid;hexakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,6-diaminohexanoic 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)-2,6-diaminohexanoic 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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid is 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.NCCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid?

The InChIKey is ZHXGYGQTDKGFPU-PVIIAGQHSA-N. The full InChI is InChI=1S/C9H11NO3.6C6H14N4O2.2C6H14N2O2.C5H10N2O3.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;2*7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(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);2*5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10);1,3H2,(H,4,5)/t8-;6*4-;2*5-;3-;/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)-2,6-diaminohexanoic 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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 1740.01 g/mol, XLogP of -12.19, 48 rotatable bonds, 38 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)-2,6-diaminohexanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174548217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).