2-amino-4-(diaminomethylideneamino)oxybutanoic acid

C10H24N8O6 — CID 22376237

IUPAC2-amino-4-(diaminomethylideneamino)oxybutanoic acid
SMILESNC(N)=NOCCC(N)C(=O)O.NC(N)=NOCCC(N)C(=O)O
InChIInChI=1S/2C5H12N4O3/c2*6-3(4(10)11)1-2-12-9-5(7)8/h2*3H,1-2,6H2,(H,10,11)(H4,7,8,9)
InChIKeyGAXUGXBVIWSLLF-UHFFFAOYSA-N
MW352.35 g/mol
LogP-4.01
Rot. Bonds10

About 2-amino-4-(diaminomethylideneamino)oxybutanoic acid

2-amino-4-(diaminomethylideneamino)oxybutanoic acid (PubChem CID 22376237) has the molecular formula C10H24N8O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-amino-4-(diaminomethylideneamino)oxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-(diaminomethylideneamino)oxybutanoic acid
PubChem CID22376237
Molecular FormulaC10H24N8O6
Molecular Weight352.35 g/mol
Exact Mass352.18
IUPAC Name2-amino-4-(diaminomethylideneamino)oxybutanoic acid
SMILESNC(N)=NOCCC(N)C(=O)O.NC(N)=NOCCC(N)C(=O)O
InChIInChI=1S/2C5H12N4O3/c2*6-3(4(10)11)1-2-12-9-5(7)8/h2*3H,1-2,6H2,(H,10,11)(H4,7,8,9)
InChIKeyGAXUGXBVIWSLLF-UHFFFAOYSA-N
XLogP-4.01
TPSA273.90 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 5-4.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 87408943
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid
CID 129083322
(diamino(114C)methylideneamino) (2S)-2-amino-4-(diaminomethylideneamino)oxybutaneperoxoate
CID 56625944
2-amino-4-(1-aminoethylideneamino)oxybutanoic acid;2-amino-N,3-dihydroxypropanamide
CID 174277232
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-oxalooxybutanoic acid
CID 46173773
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
(2S)-2-amino-4-(carbamothioylamino)oxybutanoic acid
CID 11745499
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(diaminomethylideneamino)oxybutanoic acid?
The IUPAC name of 2-amino-4-(diaminomethylideneamino)oxybutanoic acid (CID 22376237) is 2-amino-4-(diaminomethylideneamino)oxybutanoic acid.
What is the SMILES notation for 2-amino-4-(diaminomethylideneamino)oxybutanoic acid?
The canonical SMILES for 2-amino-4-(diaminomethylideneamino)oxybutanoic acid is NC(N)=NOCCC(N)C(=O)O.NC(N)=NOCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(diaminomethylideneamino)oxybutanoic acid?
The InChIKey is GAXUGXBVIWSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12N4O3/c2*6-3(4(10)11)1-2-12-9-5(7)8/h2*3H,1-2,6H2,(H,10,11)(H4,7,8,9).
What are the key properties of 2-amino-4-(diaminomethylideneamino)oxybutanoic acid?
2-amino-4-(diaminomethylideneamino)oxybutanoic acid has a molecular weight of 352.35 g/mol, XLogP of -4.01, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(diaminomethylideneamino)oxybutanoic acid is sourced from PubChem (CID 22376237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).