2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C40H74N12O16 — CID 175227843

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 175227843) has the molecular formula C40H74N12O16 and a molecular weight of 979.10 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 175227843
• Molecular Formula: C40H74N12O16
• Molecular Weight: 979.10 g/mol
• Exact Mass: 978.53
• IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: CC(C)C(N)C(=O)O.CC(C)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(N)=NCCCC(N)C(=O)O.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C11H12N2O2.C6H14N4O2.C6H13NO2.C5H9NO2.C5H11NO2.C4H8N2O3.C3H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;4-2(1-5)3(6)7/h1-4,6,9,13H,5,12H2,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2,5H,1,4H2,(H,6,7)/t;;;4-;;;/m...0.../s1
• InChIKey: RSKQGQCHKLUYEJ-IGHVBGAYSA-N
• XLogP: -3.44
• TPSA: 572.76 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.10
LogP ≤ 5	-3.44
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	17

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-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 175227843) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C(N)C(=O)O.CC(C)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(CO)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O.NC(N)=NCCCC(N)C(=O)O.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is RSKQGQCHKLUYEJ-IGHVBGAYSA-N. The full InChI is InChI=1S/C11H12N2O2.C6H14N4O2.C6H13NO2.C5H9NO2.C5H11NO2.C4H8N2O3.C3H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;5-2(4(8)9)1-3(6)7;4-2(1-5)3(6)7/h1-4,6,9,13H,5,12H2,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,1,5H2,(H2,6,7)(H,8,9);2,5H,1,4H2,(H,6,7)/t;;;4-;;;/m...0.../s1.

What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 979.10 g/mol, XLogP of -3.44, 19 rotatable bonds, 19 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175227843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).