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2-(Methoxycarbonylamino)-3-(4-methoxyphenyl)propanoic acid

HCID 20094802
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)NC(Cc1ccc(OC)cc1)C(=O)O
InChIKey
YYJNREYTCASOGD-UHFFFAOYSA-N
Molecular formula
C12H15NO5
Average molar mass
253.25 g/mol

Names & identifiers

Preferred name
2-(Methoxycarbonylamino)-3-(4-methoxyphenyl)propanoic acid
IUPAC
2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoic acid

Names & synonyms

SCHEMBL10663117

Database identifiers

PubChem CID
20094802

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
286

Related reactions

2 records
New reaction record
HRID 174650 reaction equation
HRID 174650As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 691672 reaction equation
HRID 691672As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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