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Methyl 4-(tert-butoxycarbonylamino)-3-hydroxy-cyclopentene-1-carboxylate

HCID 77759869
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1=CC(O)C(NC(=O)OC(C)(C)C)C1
InChIKey
MDEBHDWZTOGBQT-UHFFFAOYSA-N
Molecular formula
C12H19NO5
Average molar mass
257.28 g/mol

Names & identifiers

Preferred name
Methyl 4-(tert-butoxycarbonylamino)-3-hydroxy-cyclopentene-1-carboxylate
IUPAC
methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylate

Names & synonyms

1824432-78-1methyl 4-(tert-butoxycarbonylamino)-3-hydroxy-cyclopentene-1-carboxylateMethyl 4-((tert-butoxycarbonyl)amino)-3-hydroxycyclopent-1-ene-1-carboxylatestarbld0030038

Database identifiers

PubChem CID
77759869

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
369

Related reactions

3 records
New reaction record
HRID 945234 reaction equation
HRID 945234As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1130828 reaction equation
HRID 1130828As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1538170 reaction equation
HRID 1538170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes