Tert-butyl 1-(2-aminopropanoyl)pyrrolidine-2-carboxylate

HCID 12939799

Notes Reactions

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Basic information

Standard SMILES: CC(N)C(=O)N1CCCC1C(=O)OC(C)(C)C
InChIKey: GEMSXPOJLIUVKT-UHFFFAOYSA-N
Molecular formula: C12H22N2O3
Average molar mass: 242.31 g/mol

Names & identifiers

Preferred name: Tert-butyl 1-(2-aminopropanoyl)pyrrolidine-2-carboxylate
IUPAC: tert-butyl 1-(2-aminopropanoyl)pyrrolidine-2-carboxylate

Database identifiers

PubChem CID: 12939799

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 309

Related reactions

5 records

New reaction record

HRID 87587 reaction equation

HRID 87587As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137573 reaction equation

HRID 137573As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 213674 reaction equation

HRID 213674As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 306945 reaction equation

HRID 306945As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 808389 reaction equation

HRID 808389As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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