3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide

C8H15N3O3 — CID 82749549

IUPAC3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
SMILESCN(C(=O)CC(N)=NO)C1CCOC1
InChIInChI=1S/C8H15N3O3/c1-11(6-2-3-14-5-6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyXBSBMTXOOGORJT-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.63
Rot. Bonds3

About 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide

3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide (PubChem CID 82749549) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
PubChem CID82749549
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
SMILESCN(C(=O)CC(N)=NO)C1CCOC1
InChIInChI=1S/C8H15N3O3/c1-11(6-2-3-14-5-6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyXBSBMTXOOGORJT-UHFFFAOYSA-N
XLogP-0.63
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 82748788
(3Z)-3-amino-N-(1,1-dioxothiolan-3-yl)-3-hydroxyimino-N-methylpropanamide
CID 43649050
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide
CID 82749463
4-amino-N,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 81489962
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
CID 82737943
2-amino-1-methyl-1-(oxolan-3-yl)guanidine
CID 82740357
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 81489412
6-amino-N,4-dimethyl-N-(oxolan-3-yl)hexanamide
CID 82738778

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide (CID 82749549) is 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide is CN(C(=O)CC(N)=NO)C1CCOC1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide?
The InChIKey is XBSBMTXOOGORJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-11(6-2-3-14-5-6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10).
What are the key properties of 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide?
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide has a molecular weight of 201.23 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 82749549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).