N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide

C10H19N3O3 — CID 76937420

IUPACN-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
SMILESCCC(NC(=O)C1CCCCO1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-2-7(9(11)13-15)12-10(14)8-5-3-4-6-16-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyQPCVCIFHHJYZDX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.20
Rot. Bonds4

About N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide

N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide (PubChem CID 76937420) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
PubChem CID76937420
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
SMILESCCC(NC(=O)C1CCCCO1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-2-7(9(11)13-15)12-10(14)8-5-3-4-6-16-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyQPCVCIFHHJYZDX-UHFFFAOYSA-N
XLogP0.20
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 ≤ 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-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
CID 77039367
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
N-(1-amino-1-hydroxyiminobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104521741
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
CID 55048092
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
CID 76934587
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea
CID 76954547
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
CID 76937423
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746
methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide (CID 76937420) is N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide is CCC(NC(=O)C1CCCCO1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide?
The InChIKey is QPCVCIFHHJYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-7(9(11)13-15)12-10(14)8-5-3-4-6-16-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide?
N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide has a molecular weight of 229.28 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-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide is sourced from PubChem (CID 76937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).