3-[[amino-(hydroxyamino)methylidene]amino]butanamide

C5H12N4O2 — CID 104870512

IUPAC3-[[amino-(hydroxyamino)methylidene]amino]butanamide
SMILESCC(CC(N)=O)/N=C(\N)NO
InChIInChI=1S/C5H12N4O2/c1-3(2-4(6)10)8-5(7)9-11/h3,11H,2H2,1H3,(H2,6,10)(H3,7,8,9)
InChIKeyOTBYBKHHGMNSNB-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.46
Rot. Bonds3

About 3-[[amino-(hydroxyamino)methylidene]amino]butanamide

3-[[amino-(hydroxyamino)methylidene]amino]butanamide (PubChem CID 104870512) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-[[amino-(hydroxyamino)methylidene]amino]butanamide.

Molecular Properties

Compound Name3-[[amino-(hydroxyamino)methylidene]amino]butanamide
PubChem CID104870512
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name3-[[amino-(hydroxyamino)methylidene]amino]butanamide
SMILESCC(CC(N)=O)/N=C(\N)NO
InChIInChI=1S/C5H12N4O2/c1-3(2-4(6)10)8-5(7)9-11/h3,11H,2H2,1H3,(H2,6,10)(H3,7,8,9)
InChIKeyOTBYBKHHGMNSNB-UHFFFAOYSA-N
XLogP-1.46
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-[[amino(hydrazinyl)methylidene]amino]butanamide
CID 104870450
1-hydroxy-2-(1-methylsulfanylpropan-2-yl)guanidine
CID 104863199
2-(1-ethoxypropan-2-yl)-1-hydroxyguanidine
CID 62482092
1-hydroxy-2-(4-methoxybutan-2-yl)guanidine
CID 64604532
3-methylbutanamide
CID 87933309
3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide
CID 136952209
CID 178036338
CID 178036338
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
CID 104870493
methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate
CID 174476888
2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
3-(ethylamino)butanamide
CID 18792210

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(hydroxyamino)methylidene]amino]butanamide?
The IUPAC name of 3-[[amino-(hydroxyamino)methylidene]amino]butanamide (CID 104870512) is 3-[[amino-(hydroxyamino)methylidene]amino]butanamide.
What is the SMILES notation for 3-[[amino-(hydroxyamino)methylidene]amino]butanamide?
The canonical SMILES for 3-[[amino-(hydroxyamino)methylidene]amino]butanamide is CC(CC(N)=O)/N=C(\N)NO.
What is the InChIKey of 3-[[amino-(hydroxyamino)methylidene]amino]butanamide?
The InChIKey is OTBYBKHHGMNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-3(2-4(6)10)8-5(7)9-11/h3,11H,2H2,1H3,(H2,6,10)(H3,7,8,9).
What are the key properties of 3-[[amino-(hydroxyamino)methylidene]amino]butanamide?
3-[[amino-(hydroxyamino)methylidene]amino]butanamide has a molecular weight of 160.18 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(hydroxyamino)methylidene]amino]butanamide is sourced from PubChem (CID 104870512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).