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

C11H21N3O3 — CID 104979359

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C(N)=NO)C(C)C)CO1
InChIInChI=1S/C11H21N3O3/c1-6(2)9(10(12)14-16)13-11(15)8-4-7(3)17-5-8/h6-9,16H,4-5H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyJZEOMHQOGKDIJH-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.30
Rot. Bonds4

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

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide (PubChem CID 104979359) 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-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
PubChem CID104979359
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C(N)=NO)C(C)C)CO1
InChIInChI=1S/C11H21N3O3/c1-6(2)9(10(12)14-16)13-11(15)8-4-7(3)17-5-8/h6-9,16H,4-5H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyJZEOMHQOGKDIJH-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
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-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979329
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
CID 104979326
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326944
3-hydroxy-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824297
N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
CID 102677253
5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
CID 114827184
N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114823383
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77038856
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide
CID 114823482

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide (CID 104979359) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC(C(N)=NO)C(C)C)CO1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is JZEOMHQOGKDIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-6(2)9(10(12)14-16)13-11(15)8-4-7(3)17-5-8/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-3-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.30, 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-3-carboxamide is sourced from PubChem (CID 104979359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).