2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid

C30H60N12O20 — CID 174558746

About 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid

2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid (PubChem CID 174558746) has the molecular formula C30H60N12O20 and a molecular weight of 908.87 g/mol. Its IUPAC name is 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid.

Molecular Properties

• Compound Name: 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid
• PubChem CID: 174558746
• Molecular Formula: C30H60N12O20
• Molecular Weight: 908.87 g/mol
• Exact Mass: 908.40
• IUPAC Name: 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid
• SMILES: CC(O)C(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CO)C(=O)O.NC(Cc1cnc[nH]1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCC(=O)O
• InChI: InChI=1S/C6H14N4O2.C6H9N3O2.C5H9NO4.C4H7NO4.C4H9NO3.C3H7NO3.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)
• InChIKey: MSDSSIBPBUXLJX-UHFFFAOYSA-N
• XLogP: -7.85
• TPSA: 651.38 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	908.87
LogP ≤ 5	-7.85
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	20

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;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid?

The IUPAC name of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid (CID 174558746) is 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid.

What is the SMILES notation for 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid?

The canonical SMILES for 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid is CC(O)C(N)C(=O)O.NC(CC(=O)O)C(=O)O.NC(CCC(=O)O)C(=O)O.NC(CO)C(=O)O.NC(Cc1cnc[nH]1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.

What is the InChIKey of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid?

The InChIKey is MSDSSIBPBUXLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C6H9N3O2.C5H9NO4.C4H7NO4.C4H9NO3.C3H7NO3.C2H5NO2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;3-1-2(4)5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5).

What are the key properties of 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid?

2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid has a molecular weight of 908.87 g/mol, XLogP of -7.85, 20 rotatable bonds, 21 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-aminopentanedioic acid is sourced from PubChem (CID 174558746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).