N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide

C10H19N3O3 — CID 77057841

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
SMILESCC(CNC(=O)CC1CCCO1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-7(10(11)13-15)6-12-9(14)5-8-3-2-4-16-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZCYMIGXVAFNYTB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.05
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide (PubChem CID 77057841) 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)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
PubChem CID77057841
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
SMILESCC(CNC(=O)CC1CCCO1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-7(10(11)13-15)6-12-9(14)5-8-3-2-4-16-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZCYMIGXVAFNYTB-UHFFFAOYSA-N
XLogP0.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.05
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)-3-(oxan-2-yl)propanamide
CID 76996311
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N-[2-(2-aminoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106116037
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide (CID 77057841) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide is CC(CNC(=O)CC1CCCO1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is ZCYMIGXVAFNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(10(11)13-15)6-12-9(14)5-8-3-2-4-16-8/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)-2-(oxolan-2-yl)acetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 229.28 g/mol, XLogP of 0.05, 5 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)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 77057841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).