methyl N-[(1R,3S)-3-benzyloxycarbonyl-aminocyclohexyl]carbamate

HCID 68007622
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Basic information

Standard SMILES
COC(=O)N[C@]1(N)CCC[C@H](C(=O)OCc2ccccc2)C1
InChIKey
MCVMXVXDDXKUKK-XJKSGUPXSA-N
Molecular formula
C16H22N2O4
Average molar mass
306.36 g/mol

Names & identifiers

Preferred name
methyl N-[(1R,3S)-3-benzyloxycarbonyl-aminocyclohexyl]carbamate
IUPAC
trans-benzyl (1S,3R)-3-amino-3-(methoxycarbonylamino)cyclohexane-1-carboxylate

Names & synonyms

SCHEMBL10007476MCVMXVXDDXKUKK-XJKSGUPXSA-Nmethyl N-[(1R,3S)-3-benzyloxycarbonyl-aminocyclohexyl]carbamate

Database identifiers

PubChem CID
68007622

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
90.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
22

Related reactions

1 records
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Compound notes

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