2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid

C7H18N8O2 — CID 174735691

IUPAC2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILESNNC(N)=NC(CCC(N)C(=O)O)N=C(N)N
InChIInChI=1S/C7H18N8O2/c8-3(5(16)17)1-2-4(13-6(9)10)14-7(11)15-12/h3-4H,1-2,8,12H2,(H,16,17)(H4,9,10,13)(H3,11,14,15)
InChIKeyUEMOGJZPPRRMLH-UHFFFAOYSA-N
MW246.27 g/mol
LogP-3.44
Rot. Bonds6

About 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid

2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 174735691) has the molecular formula C7H18N8O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
PubChem CID174735691
Molecular FormulaC7H18N8O2
Molecular Weight246.27 g/mol
Exact Mass246.16
IUPAC Name2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILESNNC(N)=NC(CCC(N)C(=O)O)N=C(N)N
InChIInChI=1S/C7H18N8O2/c8-3(5(16)17)1-2-4(13-6(9)10)14-7(11)15-12/h3-4H,1-2,8,12H2,(H,16,17)(H4,9,10,13)(H3,11,14,15)
InChIKeyUEMOGJZPPRRMLH-UHFFFAOYSA-N
XLogP-3.44
TPSA204.15 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.27
LogP ≤ 5-3.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate
CID 173236430
(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid
CID 71448989
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-(diaminomethylideneamino)heptanoic acid
CID 87665653
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
(2S,5S)-2-amino-5-(diaminomethylideneamino)hexanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 23657389
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid (CID 174735691) is 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid is NNC(N)=NC(CCC(N)C(=O)O)N=C(N)N.
What is the InChIKey of 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is UEMOGJZPPRRMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N8O2/c8-3(5(16)17)1-2-4(13-6(9)10)14-7(11)15-12/h3-4H,1-2,8,12H2,(H,16,17)(H4,9,10,13)(H3,11,14,15).
What are the key properties of 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid?
2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 246.27 g/mol, XLogP of -3.44, 6 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 174735691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).