N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide

C11H21N3O3 — CID 77057759

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCC1CCCO1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-11(2,10(12)14-16)13-9(15)6-5-8-4-3-7-17-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyAPKTVAXKGZFRNW-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.59
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 77057759) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
PubChem CID77057759
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCC1CCCO1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-11(2,10(12)14-16)13-9(15)6-5-8-4-3-7-17-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyAPKTVAXKGZFRNW-UHFFFAOYSA-N
XLogP0.59
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.59
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-carbamothioylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 65155302
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 113354475
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)oxane-2-carboxamide
CID 76937423
N-(1-hydroxy-2-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 64555819
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 105059667
4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 43357092
(2S)-4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 55230932
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 82017155
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide (CID 77057759) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide is CC(C)(NC(=O)CCC1CCCO1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is APKTVAXKGZFRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,10(12)14-16)13-9(15)6-5-8-4-3-7-17-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 0.59, 5 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)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 77057759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).