N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide

C10H19N3O3 — CID 76982084

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
SMILESCC(CNC(=O)C1CCCOC1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-7(9(11)13-15)5-12-10(14)8-3-2-4-16-6-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeySWXQDQYHTAZVFA-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.09
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide (PubChem CID 76982084) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
PubChem CID76982084
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
SMILESCC(CNC(=O)C1CCCOC1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-7(9(11)13-15)5-12-10(14)8-3-2-4-16-6-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeySWXQDQYHTAZVFA-UHFFFAOYSA-N
XLogP-0.09
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.09
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-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]oxane-3-carboxamide
CID 76982070

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide (CID 76982084) is N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide is CC(CNC(=O)C1CCCOC1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide?
The InChIKey is SWXQDQYHTAZVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(9(11)13-15)5-12-10(14)8-3-2-4-16-6-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide is sourced from PubChem (CID 76982084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).