N-benzyloxycarbonyl-3-methyl-D,L-aspartic acid

HCID 290744
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Basic information

Standard SMILES
CC(C(=O)O)C(NC(=O)OCc1ccccc1)C(=O)O
InChIKey
BVLQSKYXABJJAC-UHFFFAOYSA-N
Molecular formula
C13H15NO6
Average molar mass
281.26 g/mol
Monoisotopic mass
281.0899372

Names & identifiers

Preferred name
N-benzyloxycarbonyl-3-methyl-D,L-aspartic acid
IUPAC
2-methyl-3-(phenylmethoxycarbonylamino)butanedioic acid

Names & synonyms

NSC154941SCHEMBL9003507BVLQSKYXABJJAC-UHFFFAOYSA-NNSC-154941N-benzyloxycarbonyl-3-methyl-D,L-aspartic acid

Database identifiers

PubChem CID
290744

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
113 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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