N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide

C11H19N3O3 — CID 77039367

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
SMILESNC(=NO)C(NC(=O)C1CCCCO1)C1CC1
InChIInChI=1S/C11H19N3O3/c12-10(14-16)9(7-4-5-7)13-11(15)8-3-1-2-6-17-8/h7-9,16H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyMSQFEMFCDNIUAC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.20
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide (PubChem CID 77039367) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
PubChem CID77039367
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
SMILESNC(=NO)C(NC(=O)C1CCCCO1)C1CC1
InChIInChI=1S/C11H19N3O3/c12-10(14-16)9(7-4-5-7)13-11(15)8-3-1-2-6-17-8/h7-9,16H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyMSQFEMFCDNIUAC-UHFFFAOYSA-N
XLogP0.20
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.20
H-Bond Donors ≤ 53
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-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
CID 76937420
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
CID 104979326
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methylcyclopentane-1-carboxamide
CID 107182710
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
CID 76934587
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
CID 76937423
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
CID 77039310

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide (CID 77039367) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide is NC(=NO)C(NC(=O)C1CCCCO1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide?
The InChIKey is MSQFEMFCDNIUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-10(14-16)9(7-4-5-7)13-11(15)8-3-1-2-6-17-8/h7-9,16H,1-6H2,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide is sourced from PubChem (CID 77039367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).