2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)

C46H83N13O15 — CID 175468651

About 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid) (PubChem CID 175468651) has the molecular formula C46H83N13O15 and a molecular weight of 1058.25 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid).

Molecular Properties

• Compound Name: 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)
• PubChem CID: 175468651
• Molecular Formula: C46H83N13O15
• Molecular Weight: 1058.25 g/mol
• Exact Mass: 1057.61
• IUPAC Name: 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)
• SMILES: CC(C)CC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.NCCCCC(N)C(=O)O.NCCCCC(N)C(=O)O
• InChI: InChI=1S/C11H12N2O2.C9H11NO3.C6H14N4O2.2C6H14N2O2.C6H13NO2.C2H5NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4(5(11)12)2-1-3-10-6(8)9;2*7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;3-1-2(4)5/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5)
• InChIKey: IZCJWVQJBCUQNW-UHFFFAOYSA-N
• XLogP: -1.55
• TPSA: 595.70 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.25
LogP ≤ 5	-1.55
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	18

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-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)?

The IUPAC name of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid) (CID 175468651) is 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid).

What is the SMILES notation for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)?

The canonical SMILES for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid) is CC(C)CC(N)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCC(=O)O.NCCCCC(N)C(=O)O.NCCCCC(N)C(=O)O.

What is the InChIKey of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)?

The InChIKey is IZCJWVQJBCUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C9H11NO3.C6H14N4O2.2C6H14N2O2.C6H13NO2.C2H5NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4(5(11)12)2-1-3-10-6(8)9;2*7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;3-1-2(4)5/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5).

What are the key properties of 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)?

2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid) has a molecular weight of 1058.25 g/mol, XLogP of -1.55, 25 rotatable bonds, 20 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid) is sourced from PubChem (CID 175468651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).