2-amino-2-azido-N-hydroxybutanediamide

C4H8N6O3 — CID 172752719

IUPAC2-amino-2-azido-N-hydroxybutanediamide
SMILES[N-]=[N+]=NC(N)(CC(N)=O)C(=O)NO
InChIInChI=1S/C4H8N6O3/c5-2(11)1-4(6,9-10-7)3(12)8-13/h13H,1,6H2,(H2,5,11)(H,8,12)
InChIKeyKPAPPJRTNQWXJX-UHFFFAOYSA-N
MW188.15 g/mol
LogP-1.67
Rot. Bonds4

About 2-amino-2-azido-N-hydroxybutanediamide

2-amino-2-azido-N-hydroxybutanediamide (PubChem CID 172752719) has the molecular formula C4H8N6O3 and a molecular weight of 188.15 g/mol. Its IUPAC name is 2-amino-2-azido-N-hydroxybutanediamide.

Molecular Properties

Compound Name2-amino-2-azido-N-hydroxybutanediamide
PubChem CID172752719
Molecular FormulaC4H8N6O3
Molecular Weight188.15 g/mol
Exact Mass188.07
IUPAC Name2-amino-2-azido-N-hydroxybutanediamide
SMILES[N-]=[N+]=NC(N)(CC(N)=O)C(=O)NO
InChIInChI=1S/C4H8N6O3/c5-2(11)1-4(6,9-10-7)3(12)8-13/h13H,1,6H2,(H2,5,11)(H,8,12)
InChIKeyKPAPPJRTNQWXJX-UHFFFAOYSA-N
XLogP-1.67
TPSA167.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 130927067
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CID 14616846
3-(2-azidoethylamino)propanamide
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(2R)-2,6-diamino-N-[2-(2-aminoethyldisulfanyl)ethyl]-2-azido-N-[(2R)-2,6-diamino-2-azidohexanoyl]hexanamide;dihydrochloride
CID 156791526
2,4-diazido-2,4-dimethylpentan-3-one
CID 18791928
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3-methyl-3-(methylamino)pentanamide
CID 65236243
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
propanediamide
CID 7911
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
azidomethyl hydrogen carbonate
CID 150627591

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-azido-N-hydroxybutanediamide?
The IUPAC name of 2-amino-2-azido-N-hydroxybutanediamide (CID 172752719) is 2-amino-2-azido-N-hydroxybutanediamide.
What is the SMILES notation for 2-amino-2-azido-N-hydroxybutanediamide?
The canonical SMILES for 2-amino-2-azido-N-hydroxybutanediamide is [N-]=[N+]=NC(N)(CC(N)=O)C(=O)NO.
What is the InChIKey of 2-amino-2-azido-N-hydroxybutanediamide?
The InChIKey is KPAPPJRTNQWXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O3/c5-2(11)1-4(6,9-10-7)3(12)8-13/h13H,1,6H2,(H2,5,11)(H,8,12).
What are the key properties of 2-amino-2-azido-N-hydroxybutanediamide?
2-amino-2-azido-N-hydroxybutanediamide has a molecular weight of 188.15 g/mol, XLogP of -1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-azido-N-hydroxybutanediamide is sourced from PubChem (CID 172752719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).