N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide

C11H21N3O3 — CID 79762647

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C11H21N3O3/c1-7(2)14(6-10(12)13-16)11(15)9-4-5-17-8(9)3/h7-9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyKFYBOKNDBQKYBO-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.39
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 79762647) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID79762647
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C11H21N3O3/c1-7(2)14(6-10(12)13-16)11(15)9-4-5-17-8(9)3/h7-9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyKFYBOKNDBQKYBO-UHFFFAOYSA-N
XLogP0.39
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.39
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-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide (CID 79762647) is N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide is CC1OCCC1C(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is KFYBOKNDBQKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)14(6-10(12)13-16)11(15)9-4-5-17-8(9)3/h7-9,16H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 79762647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).