N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide

C11H21N3O3 — CID 81326944

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC(C(N)=NO)C(C)C)O1
InChIInChI=1S/C11H21N3O3/c1-6(2)9(10(12)14-16)13-11(15)8-5-4-7(3)17-8/h6-9,16H,4-5H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyIOQLWINPDSJLBN-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.44
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide (PubChem CID 81326944) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
PubChem CID81326944
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC(C(N)=NO)C(C)C)O1
InChIInChI=1S/C11H21N3O3/c1-6(2)9(10(12)14-16)13-11(15)8-5-4-7(3)17-8/h6-9,16H,4-5H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyIOQLWINPDSJLBN-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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Related Compounds

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979359
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
CID 130736791
N-(5-aminopentan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326874
5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
CID 81330856
tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
CID 81003461
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-5-methyloxolane-2-carboxamide
CID 81327024
N-(1-amino-1-sulfanylidenepentan-3-yl)-5-methyloxolane-2-carboxamide
CID 81330044
N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
CID 80995980
[(5-methyloxolane-2-carbonyl)amino]thiourea
CID 81327300
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide (CID 81326944) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NC(C(N)=NO)C(C)C)O1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is IOQLWINPDSJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-6(2)9(10(12)14-16)13-11(15)8-5-4-7(3)17-8/h6-9,16H,4-5H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-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-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81326944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).