3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide

C9H17N3O3 — CID 82748788

IUPAC3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
SMILESCC(C(=O)N(C)C1CCOC1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-6(8(10)11-14)9(13)12(2)7-3-4-15-5-7/h6-7,14H,3-5H2,1-2H3,(H2,10,11)
InChIKeyKDUJJJZDWKYUSU-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.38
Rot. Bonds3

About 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide

3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide (PubChem CID 82748788) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
PubChem CID82748788
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
SMILESCC(C(=O)N(C)C1CCOC1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-6(8(10)11-14)9(13)12(2)7-3-4-15-5-7/h6-7,14H,3-5H2,1-2H3,(H2,10,11)
InChIKeyKDUJJJZDWKYUSU-UHFFFAOYSA-N
XLogP-0.38
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.38
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

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide
CID 82749463
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
3-amino-N,2-dimethyl-N-(oxolan-3-yl)butanamide;hydrochloride
CID 120500471
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951295
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
2-amino-1-methyl-1-(oxolan-3-yl)guanidine
CID 82740357
2-cyclopropyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967151
2-amino-N-methyl-2-(4-methylphenyl)-N-(oxolan-3-yl)acetamide
CID 114172118
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
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,2-dimethyl-N-(oxolan-3-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide (CID 82748788) is 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide is CC(C(=O)N(C)C1CCOC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide?
The InChIKey is KDUJJJZDWKYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(8(10)11-14)9(13)12(2)7-3-4-15-5-7/h6-7,14H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide?
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.38, 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,2-dimethyl-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 82748788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).