N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide

C11H21N3O3 — CID 79762996

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
SMILESCCC(C)(NC(=O)C1CCOC1C)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-4-11(3,10(12)14-16)13-9(15)8-5-6-17-7(8)2/h7-8,16H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyZHYLRXHFIWPZSZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.44
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide (PubChem CID 79762996) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
PubChem CID79762996
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
SMILESCCC(C)(NC(=O)C1CCOC1C)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-4-11(3,10(12)14-16)13-9(15)8-5-6-17-7(8)2/h7-8,16H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyZHYLRXHFIWPZSZ-UHFFFAOYSA-N
XLogP0.44
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide (CID 79762996) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide is CCC(C)(NC(=O)C1CCOC1C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is ZHYLRXHFIWPZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-11(3,10(12)14-16)13-9(15)8-5-6-17-7(8)2/h7-8,16H,4-6H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79762996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).