Tert-butyl cyclopropyl(3-hydroxypropyl)carbamate

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Basic information

CAS: 155541-96-1
Standard SMILES: CC(C)(C)OC(=O)N(CCCO)C1CC1
InChIKey: LLXMKOTWXMKYCL-UHFFFAOYSA-N
Molecular formula: C11H21NO3
Average molar mass: 215.29 g/mol
Monoisotopic mass: 215.15214353

Names & identifiers

Preferred name: Tert-butyl cyclopropyl(3-hydroxypropyl)carbamate
IUPAC: tert-butyl N-cyclopropyl-N-(3-hydroxypropyl)carbamate

Names & synonyms

tert-butyl N-cyclopropyl-N-(3-hydroxypropyl)carbamate155541-96-1tert-butyl cyclopropyl(3-hydroxypropyl)carbamateSCHEMBL4914499LLXMKOTWXMKYCL-UHFFFAOYSA-NDTXSID401156375MFCD09263417DB-321700EN300-384353G39836N-tert-butoxycarbonyl-3-cyclopropylamino-propanolA1-39629

Show more names

tert-butylN-cyclopropyl-N-(3-hydroxypropyl)carbamateCarbamic acid, cyclopropyl(3-hydroxypropyl)-, 1,1-dimethylethyl ester

Database identifiers

CAS: 155541-96-1
PubChem CID: 22397341
DTXSID: DTXSID401156375

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 218

Related reactions

2 records

New reaction record

HRID 196554As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1070564As productuspto-grants-2005_06

Compound notes

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