2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C36H66N10O14 — CID 175582216

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 175582216) has the molecular formula C36H66N10O14 and a molecular weight of 862.98 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• PubChem CID: 175582216
• Molecular Formula: C36H66N10O14
• Molecular Weight: 862.98 g/mol
• Exact Mass: 862.48
• IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
• SMILES: CC(O)C(N)C(=O)O.CC(O)C(N)C(=O)O.CCC(C)C(N)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.C5H9NO2.2C4H9NO3/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;1-3-4(2)5(7)6(8)9;7-5(8)4-2-1-3-6-4;2*1-2(6)3(5)4(7)8/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);2*2-3,6H,5H2,1H3,(H,7,8)/t;;;4-;;/m...0../s1
• InChIKey: ZKDLKACIRSICGU-KSWKJGEESA-N
• XLogP: -2.60
• TPSA: 486.58 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	862.98
LogP ≤ 5	-2.60
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	15

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;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 175582216) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(O)C(N)C(=O)O.CC(O)C(N)C(=O)O.CCC(C)C(N)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;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

The InChIKey is ZKDLKACIRSICGU-KSWKJGEESA-N. The full InChI is InChI=1S/C11H12N2O2.C6H14N4O2.C6H13NO2.C5H9NO2.2C4H9NO3/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;1-3-4(2)5(7)6(8)9;7-5(8)4-2-1-3-6-4;2*1-2(6)3(5)4(7)8/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);2*2-3,6H,5H2,1H3,(H,7,8)/t;;;4-;;/m...0../s1.

What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?

2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 862.98 g/mol, XLogP of -2.60, 16 rotatable bonds, 17 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;bis(2-amino-3-hydroxybutanoic acid);2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175582216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).