HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-(1-Phenylethylamino)oxane-4-carboxylic acid

HCID 21362467
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(NC1COCCC1C(=O)O)c1ccccc1
InChIKey
CHXKEOROSAAAID-UHFFFAOYSA-N
Molecular formula
C14H19NO3
Average molar mass
249.3 g/mol

Names & identifiers

Preferred name
3-(1-Phenylethylamino)oxane-4-carboxylic acid
IUPAC
3-(1-phenylethylamino)oxane-4-carboxylic acid

Database identifiers

PubChem CID
21362467

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
276

Related reactions

2 records
New reaction record
HRID 168519 reaction equation
HRID 168519As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 303088 reaction equation
HRID 303088As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes