N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide

C10H19N3O3 — CID 76987480

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
SMILESCC(CC(N)=NO)N(C)C(=O)C1CCOC1
InChIInChI=1S/C10H19N3O3/c1-7(5-9(11)12-15)13(2)10(14)8-3-4-16-6-8/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyRBRWNTFKCIGCKN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.01
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide (PubChem CID 76987480) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
PubChem CID76987480
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
SMILESCC(CC(N)=NO)N(C)C(=O)C1CCOC1
InChIInChI=1S/C10H19N3O3/c1-7(5-9(11)12-15)13(2)10(14)8-3-4-16-6-8/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyRBRWNTFKCIGCKN-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide (CID 76987480) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide is CC(CC(N)=NO)N(C)C(=O)C1CCOC1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide?
The InChIKey is RBRWNTFKCIGCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(5-9(11)12-15)13(2)10(14)8-3-4-16-6-8/h7-8,15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 76987480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).