3-(Tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

HCID 2816276

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1C(C(=O)O)COC1(C)C
InChIKey: XUYBSTJQGVZMSK-UHFFFAOYSA-N
Molecular formula: C11H19NO5
Average molar mass: 245.27 g/mol
Monoisotopic mass: 245.12632271

Names & identifiers

Preferred name: 3-(Tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
IUPAC: 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid

Names & synonyms

301155-28-23-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid3-Boc-2,2-dimethyloxazolidine-4-carboxylic Acid3-[(tert-butoxy)carbonyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acidMFCD036442812,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid3-(tert-butoxycarbonyl)-2,2-dimethyloxazolidine-4-carboxylic acidMaybridge3_002885F2147-0713SCHEMBL2213128XUYBSTJQGVZMSK-UHFFFAOYSA-NHMS1439D03

Show more names

KBB85286AC5845CCG-45337AKOS016042714PB43238SB45349IDI1_014272AS-77564

Database identifiers

PubChem CID: 2816276
Nikkaji: J1.141.720E

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 76.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 331

Related reactions

3 records

New reaction record

HRID 831345As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2159175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2377036As reactantuspto-grants-2008_12

Compound notes

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