N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide

C11H21N3O3 — CID 81326683

IUPACN-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)C1CCC(C)O1
InChIInChI=1S/C11H21N3O3/c1-3-6-14(7-10(12)13-16)11(15)9-5-4-8(2)17-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMYWNLCHIDDQZGJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.54
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide (PubChem CID 81326683) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
PubChem CID81326683
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)C1CCC(C)O1
InChIInChI=1S/C11H21N3O3/c1-3-6-14(7-10(12)13-16)11(15)9-5-4-8(2)17-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMYWNLCHIDDQZGJ-UHFFFAOYSA-N
XLogP0.54
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.54
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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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-5-methyloxolane-2-carboxamide
CID 81327111
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
CID 81327797
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
CID 76947015
5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106610382
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide
CID 104521777
N-(2-amino-2-hydroxyiminoethyl)-N-propylthiolane-2-carboxamide
CID 77021503
N-(2-amino-2-hydroxyiminoethyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 76927861
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
CID 76929255
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-5-methyloxolane-2-carboxamide
CID 81327024

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide (CID 81326683) is N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide is CCCN(CC(N)=NO)C(=O)C1CCC(C)O1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide?
The InChIKey is MYWNLCHIDDQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-6-14(7-10(12)13-16)11(15)9-5-4-8(2)17-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.54, 5 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)-5-methyl-N-propyloxolane-2-carboxamide is sourced from PubChem (CID 81326683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).