4-amino-4,4-dihydroxybutanamide

C4H10N2O3 — CID 174849803

IUPAC4-amino-4,4-dihydroxybutanamide
SMILESNC(=O)CCC(N)(O)O
InChIInChI=1S/C4H10N2O3/c5-3(7)1-2-4(6,8)9/h8-9H,1-2,6H2,(H2,5,7)
InChIKeyNPKUETKJXHRQGY-UHFFFAOYSA-N
MW134.14 g/mol
LogP-2.15
Rot. Bonds3

About 4-amino-4,4-dihydroxybutanamide

4-amino-4,4-dihydroxybutanamide (PubChem CID 174849803) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-amino-4,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-amino-4,4-dihydroxybutanamide
PubChem CID174849803
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name4-amino-4,4-dihydroxybutanamide
SMILESNC(=O)CCC(N)(O)O
InChIInChI=1S/C4H10N2O3/c5-3(7)1-2-4(6,8)9/h8-9H,1-2,6H2,(H2,5,7)
InChIKeyNPKUETKJXHRQGY-UHFFFAOYSA-N
XLogP-2.15
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butanediamide;molybdenum
CID 161333962
4,4-dimethylpentanamide;hydrochloride
CID 141202343
4-amino-4-methyl-5-oxopentanamide
CID 20716475
butanediamide;hydrobromide
CID 158484059
2-amino-2-ethenylpentanediamide
CID 88795242
4-butyl-4-hydroxyoctanamide
CID 139781323
4-methyl-4-propylheptanamide
CID 90273698
2,2,3,3-tetramethylhexanediamide
CID 19832795
(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid
CID 57321719
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820

Frequently Asked Questions

What is the IUPAC name of 4-amino-4,4-dihydroxybutanamide?
The IUPAC name of 4-amino-4,4-dihydroxybutanamide (CID 174849803) is 4-amino-4,4-dihydroxybutanamide.
What is the SMILES notation for 4-amino-4,4-dihydroxybutanamide?
The canonical SMILES for 4-amino-4,4-dihydroxybutanamide is NC(=O)CCC(N)(O)O.
What is the InChIKey of 4-amino-4,4-dihydroxybutanamide?
The InChIKey is NPKUETKJXHRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c5-3(7)1-2-4(6,8)9/h8-9H,1-2,6H2,(H2,5,7).
What are the key properties of 4-amino-4,4-dihydroxybutanamide?
4-amino-4,4-dihydroxybutanamide has a molecular weight of 134.14 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4,4-dihydroxybutanamide is sourced from PubChem (CID 174849803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).