N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide

C12H23N3O4 — CID 81327797

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
SMILESCOCCN(CCC(N)=NO)C(=O)C1CCC(C)O1
InChIInChI=1S/C12H23N3O4/c1-9-3-4-10(19-9)12(16)15(7-8-18-2)6-5-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyXEDLJRIWGYMXMK-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.17
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide (PubChem CID 81327797) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
PubChem CID81327797
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
SMILESCOCCN(CCC(N)=NO)C(=O)C1CCC(C)O1
InChIInChI=1S/C12H23N3O4/c1-9-3-4-10(19-9)12(16)15(7-8-18-2)6-5-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyXEDLJRIWGYMXMK-UHFFFAOYSA-N
XLogP0.17
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
CID 81326683
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-5-methyloxolane-2-carboxamide
CID 81327111
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 76994029
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 77015080
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide (CID 81327797) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide is COCCN(CCC(N)=NO)C(=O)C1CCC(C)O1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide?
The InChIKey is XEDLJRIWGYMXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-9-3-4-10(19-9)12(16)15(7-8-18-2)6-5-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81327797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).