2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid

C23H44N10O10 — CID 157491089

About 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid

2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid (PubChem CID 157491089) has the molecular formula C23H44N10O10 and a molecular weight of 620.67 g/mol. Its IUPAC name is 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid.

Molecular Properties

• Compound Name: 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid
• PubChem CID: 157491089
• Molecular Formula: C23H44N10O10
• Molecular Weight: 620.67 g/mol
• Exact Mass: 620.32
• IUPAC Name: 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid
• SMILES: C/C(N)=N\CCCC(N)C(=O)O.NC(N)=NCCCC(=O)C(=O)O.NC(N)=NCCCC(NC(=O)CCC(=O)O)C(=O)O
• InChI: InChI=1S/C10H18N4O5.C7H15N3O2.C6H11N3O3/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17;1-5(8)10-4-2-3-6(9)7(11)12;7-6(8)9-3-1-2-4(10)5(11)12/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13);6H,2-4,9H2,1H3,(H2,8,10)(H,11,12);1-3H2,(H,11,12)(H4,7,8,9)
• InChIKey: BXHBRKGMHBPIHS-UHFFFAOYSA-N
• XLogP: -3.28
• TPSA: 388.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.67
LogP ≤ 5	-3.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid?

The IUPAC name of 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid (CID 157491089) is 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid.

What is the SMILES notation for 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid?

The canonical SMILES for 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid is C/C(N)=N\CCCC(N)C(=O)O.NC(N)=NCCCC(=O)C(=O)O.NC(N)=NCCCC(NC(=O)CCC(=O)O)C(=O)O.

What is the InChIKey of 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid?

The InChIKey is BXHBRKGMHBPIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5.C7H15N3O2.C6H11N3O3/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17;1-5(8)10-4-2-3-6(9)7(11)12;7-6(8)9-3-1-2-4(10)5(11)12/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13);6H,2-4,9H2,1H3,(H2,8,10)(H,11,12);1-3H2,(H,11,12)(H4,7,8,9).

What are the key properties of 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid?

2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid has a molecular weight of 620.67 g/mol, XLogP of -3.28, 19 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(1-aminoethylideneamino)pentanoic acid;2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid;5-(diaminomethylideneamino)-2-oxopentanoic acid is sourced from PubChem (CID 157491089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).