N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide

C13H25N3O3 — CID 81327965

IUPACN-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C1CCC(C)O1
InChIInChI=1S/C13H25N3O3/c1-9(2)8-16(7-6-12(14)15-18)13(17)11-5-4-10(3)19-11/h9-11,18H,4-8H2,1-3H3,(H2,14,15)
InChIKeyPZIFFOVHXTXOJU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.17
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide (PubChem CID 81327965) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
PubChem CID81327965
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C1CCC(C)O1
InChIInChI=1S/C13H25N3O3/c1-9(2)8-16(7-6-12(14)15-18)13(17)11-5-4-10(3)19-11/h9-11,18H,4-8H2,1-3H3,(H2,14,15)
InChIKeyPZIFFOVHXTXOJU-UHFFFAOYSA-N
XLogP1.17
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.17
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-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-5-methyloxolane-2-carboxamide
CID 81327797
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
CID 81326683
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 76917116
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-5-methyloxolane-2-carboxamide
CID 81327111
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide (CID 81327965) is N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide is CC(C)CN(CCC(N)=NO)C(=O)C1CCC(C)O1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is PZIFFOVHXTXOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)8-16(7-6-12(14)15-18)13(17)11-5-4-10(3)19-11/h9-11,18H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 81327965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).