2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide

C15H27N3O3 — CID 15460368

IUPAC2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CO/N=C/[C@@H]1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-11(2)17-13(19)10-21-16-9-12-7-6-8-18(12)14(20)15(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,19)/b16-9+/t12-/m0/s1
InChIKeyUDOZDYWRHVTOHN-RGZVIEDOSA-N
MW297.40 g/mol
LogP1.55
Rot. Bonds5

About 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide

2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide (PubChem CID 15460368) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide
PubChem CID15460368
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CO/N=C/[C@@H]1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-11(2)17-13(19)10-21-16-9-12-7-6-8-18(12)14(20)15(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,19)/b16-9+/t12-/m0/s1
InChIKeyUDOZDYWRHVTOHN-RGZVIEDOSA-N
XLogP1.55
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide with MolForge

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Related Compounds

tert-butyl (2S)-2-[(E)-[methyl(propan-2-ylcarbamoyl)hydrazinylidene]methyl]pyrrolidine-1-carboxylate
CID 177428828
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
CID 79031217
tert-butyl (2S)-2-[(E)-2-methyl-3-oxo-3-(propan-2-ylamino)prop-1-enyl]pyrrolidine-1-carboxylate
CID 101233094
tert-butyl 2-[(E)-2-fluoro-3-oxo-3-(propan-2-ylamino)prop-1-enyl]pyrrolidine-1-carboxylate
CID 23237083
tert-butyl (2R)-2-[[(R)-tert-butylsulfinyl]iminomethyl]pyrrolidine-1-carboxylate
CID 121394192
tert-butyl (2R)-2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]pyrrolidine-1-carboxylate
CID 121394190
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 99783192
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
CID 88907637
(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide (CID 15460368) is 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide is CC(C)NC(=O)CO/N=C/[C@@H]1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide?
The InChIKey is UDOZDYWRHVTOHN-RGZVIEDOSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(2)17-13(19)10-21-16-9-12-7-6-8-18(12)14(20)15(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,19)/b16-9+/t12-/m0/s1.
What are the key properties of 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide?
2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide has a molecular weight of 297.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]methylideneamino]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 15460368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).