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3-Piperidyl propanoic acid

HCID 21980384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C(=O)O)C1CCCNC1
InChIKey
SYAXBEMNIXCDBQ-UHFFFAOYSA-N
Molecular formula
C8H15NO2
Average molar mass
157.21 g/mol

Names & identifiers

Preferred name
3-Piperidyl propanoic acid
IUPAC
2-piperidin-3-ylpropanoic acid

Names & synonyms

2-(Piperidin-3-yl)propanoic acid90205-08-6starbld00069893-piperidyl propanoic acid2-(3-piperidyl)propanoic acidSCHEMBL4189286SCHEMBL71281002-(3-piperidinyl)propanoic acidSYAXBEMNIXCDBQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
21980384

Properties

Computed structural properties

XLogP
-1.7
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
147

Related reactions

8 records
New reaction record
HRID 100987 reaction equation
HRID 100987As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1272925 reaction equation
HRID 1272925As reactantuspto-grants-2007_04
HRID 1272934 reaction equation
HRID 1272934As reactantuspto-grants-2007_04
HRID 1349783 reaction equation
HRID 1349783As reactantuspto-grants-2007_05
HRID 1349792 reaction equation
HRID 1349792As reactantuspto-grants-2007_05
HRID 1353840 reaction equation
HRID 1353840As reactantuspto-grants-2007_05
HRID 1353849 reaction equation
HRID 1353849As reactantuspto-grants-2007_05
HRID 2183288 reaction equation
HRID 2183288As reactantuspto-grants-2005_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes