N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide

C10H19N3O3 — CID 76937423

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCCO1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-10(2,9(11)13-15)12-8(14)7-5-3-4-6-16-7/h7,15H,3-6H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyKVAADEAPVOUKLM-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.20
Rot. Bonds3

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide (PubChem CID 76937423) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
PubChem CID76937423
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
SMILESCC(C)(NC(=O)C1CCCCO1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-10(2,9(11)13-15)12-8(14)7-5-3-4-6-16-7/h7,15H,3-6H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyKVAADEAPVOUKLM-UHFFFAOYSA-N
XLogP0.20
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 77057759
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746
N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
CID 76937420
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
CID 77039367
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
3,3-dimethyl-2-(oxane-2-carbonylamino)butanoic acid
CID 55047706
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
CID 76934587

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide (CID 76937423) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide is CC(C)(NC(=O)C1CCCCO1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide?
The InChIKey is KVAADEAPVOUKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,9(11)13-15)12-8(14)7-5-3-4-6-16-7/h7,15H,3-6H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide is sourced from PubChem (CID 76937423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).