Summary

IMPPAT Phytochemical identifier: IMPHY015389

Phytochemical name: 4-Methylpyrrolidine-2-carboxylic acid

Synonymous chemical names:
4-methyl proline

External chemical identifiers:
CID:352051, ChEBI:173341, SureChEMBL:SCHEMBL22269

---

Chemical structure information

SMILES:
CC1CC(NC1)C(=O)O

InChI:
InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)

InChIKey:
KKJQZEWNZXRJFG-UHFFFAOYSA-N

DeepSMILES:
CCCCNC5))C=O)O

Functional groups:
CC(=O)O, CNC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

---

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: 1.452

---

Chemical structure download