Basic information
- CAS
2906-39-0- Standard SMILES
O=C(O)C1CCC=N1- InChIKey
DWAKNKKXGALPNW-UHFFFAOYSA-N- Molecular formula
- C5H7NO2
- Average molar mass
- 113.11 g/mol
- Monoisotopic mass
- 113.04767847
Overview
1-pyrroline-5-carboxylic acid is a 1-pyrrolinecarboxylic acid that is 1-pyrroline in which one of the hydrogens at position 5 is replaced by a carboxy group. It is a conjugate acid of a 1-pyrroline-5-carboxylate.
Names & identifiers
- Preferred name
- 1-Pyrroline-5-carboxylic acid
- IUPAC
- 3,4-dihydro-2H-pyrrole-2-carboxylic acid
- English name
- 3,4-dihydro-2H-pyrrole-2-carboxylic acid
- Molecular formula
- C5H7NO2
- Molecular weight
- 113.11
Names & synonyms
3,4-dihydro-2H-pyrrole-2-carboxylic acid2906-39-01-pyrroline-5-carboxylic aciddl-1-pyrroline-5-carboxylic acid2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-delta-1-pyrroline-5-carboxylic acid52TNU46DHLdelta(1)Pyrroline-5-carboxylateCHEBI:1372DTXSID00863056delta-1-pyrroline-5-carboxylateRefChem:77216
Show more names
DL-1-Pyrroline-5-carboxylicAcidL-d-1-Pyrroline-5-carboxylic acidDL-1-Pyrroline-5-carboxylic Acid DISCONTINUED
DTXCID60811735Pyrroline-5-carboxylateD1-Pyrroline-5-carboxylic acid3,4-dihydro-2h-pyrrole-2-carboxylicacidUNII-52TNU46DHLSCHEMBL50356Delta1-Pyrroline-5-carboxylateCHEMBL1161508
Database identifiers
- CAS
2906-39-0- PubChem CID
- 1196
- DTXSID
DTXSID00863056- ChEMBL
CHEMBL1161508
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 140 · 140-142 °C (decomp)(Solv: water (7732-18-5))
- Boiling point
- 304.1 · 304.1±42.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.20(Predicted)
- FDA UNII
- 52 TNU46DHL · 52TNU46DHL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Health Effects
Chronically high levels of pyrroline-5-carboxylate are associated with at least 5 inborn errors of metabolism including: Hyperprolinemia Type I, Hyperprolinemia Type II, Iminoglycinuria, Prolinemia Type II and Pyruvate carboxylase deficiency.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDL-1-Pyrroline-5-carboxylic Acid is an intermediate in the metabolic interconversion of glutamic acid and proline. DL-1-Pyrroline-5-carboxylic Acid supports mitochondrial metabolism and host-cell invasion of Trypanosoma cruzi.
Suppliers14 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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