Summary

IMPPAT Phytochemical identifier: IMPHY013933

Phytochemical name: (2R,4R)-4-hydroxypiperidine-2-carboxylic acid

Synonymous chemical names:
trans-4-hydroxypipecolic acid

External chemical identifiers:
CID:261165, ChEMBL:CHEMBL507830, ZINC:ZINC000004933658, SureChEMBL:SCHEMBL1512968

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Chemical structure information

SMILES:
O[C@@H]1CCN[C@H](C1)C(=O)O

InChI:
InChI=1S/C6H11NO3/c8-4-1-2-7-5(3-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1

InChIKey:
KRHNXNZBLHHEIU-RFZPGFLSSA-N

DeepSMILES:
O[C@@H]CCN[C@H]C6)C=O)O

Functional groups:
CC(=O)O, CNC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.739

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Chemical structure download