3-hydroxy-N-(oxetan-3-ylideneamino)propanamide

C6H10N2O3 — CID 131089923

IUPAC3-hydroxy-N-(oxetan-3-ylideneamino)propanamide
SMILESO=C(CCO)NN=C1COC1
InChIInChI=1S/C6H10N2O3/c9-2-1-6(10)8-7-5-3-11-4-5/h9H,1-4H2,(H,8,10)
InChIKeyHQLZKFKZMJKZII-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.13
Rot. Bonds3

About 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide

3-hydroxy-N-(oxetan-3-ylideneamino)propanamide (PubChem CID 131089923) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-(oxetan-3-ylideneamino)propanamide
PubChem CID131089923
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name3-hydroxy-N-(oxetan-3-ylideneamino)propanamide
SMILESO=C(CCO)NN=C1COC1
InChIInChI=1S/C6H10N2O3/c9-2-1-6(10)8-7-5-3-11-4-5/h9H,1-4H2,(H,8,10)
InChIKeyHQLZKFKZMJKZII-UHFFFAOYSA-N
XLogP-1.13
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-N'-(propan-2-ylidene)propanehydrazide
CID 130621126

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide?
The IUPAC name of 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide (CID 131089923) is 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide.
What is the SMILES notation for 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide?
The canonical SMILES for 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide is O=C(CCO)NN=C1COC1.
What is the InChIKey of 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide?
The InChIKey is HQLZKFKZMJKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-2-1-6(10)8-7-5-3-11-4-5/h9H,1-4H2,(H,8,10).
What are the key properties of 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide?
3-hydroxy-N-(oxetan-3-ylideneamino)propanamide has a molecular weight of 158.16 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(oxetan-3-ylideneamino)propanamide is sourced from PubChem (CID 131089923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).