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Pyrrolidine-2,4-dicarboxylic acid

HCID 3868
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
99319-03-6
Standard SMILES
O=C(O)C1CNC(C(=O)O)C1
InChIKey
NRSBQSJHFYZIPH-UHFFFAOYSA-N
Molecular formula
C6H9NO4
Average molar mass
159.14 g/mol
Monoisotopic mass
159.05315777

Overview

a glutamate uptake inhibitor

Names & identifiers

Preferred name
Pyrrolidine-2,4-dicarboxylic acid
IUPAC
pyrrolidine-2,4-dicarboxylic acid
English name
2,4-Pyrrolidinedicarboxylic acid
Molecular formula
C6H9NO4
Molecular weight
159.14

Names & synonyms

Pyrrolidine-2,4-dicarboxylic acid99319-03-62,4-Pyrrolidinedicarboxylic acidPdc-2,4DTXSID109127461-pyrrolidine-2,4-dicarboxylic acidRefChem:177918DTXCID008668002,4-Pyrrolidinedicarboxylicacid,(2R-cis)-(9CI)Pyrrolidine-2,4-dicarboxylate1-trans-Pyrrolidine-2,4-dicarboxylic acidrel-(2S,4S)-Pyrrolidine-2,4-dicarboxylic acid
Show more names
L-PDC(2R,4S)-Pyrrolidine-2,4-dicarboxylic acidt-PDCL-trans-PDC4-carboxyproline2,4-Pyrrolidinedicarboxylicacid(9CI)
SCHEMBL542244MFCD04116303AT43372PB48186SY405998

Database identifiers

CAS
99319-03-6
PubChem CID
3868
DTXSID
DTXSID10912746
Nikkaji
J2.366.261B

Properties

Computed structural properties

XLogP
-3.2
Topological polar surface area
86.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
191

Physicochemical properties

Boiling point
355.3 · 355.3±42.0 °C(Predicted)
Density
1.456 · 1.456±0.06 g/cm3(Predicted)
pka
2.09 · 2.09±0.40(Predicted)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Drugs that inhibit the transport of neurotransmitters into axon terminals or into storage vesicles within terminals. For many transmitters, uptake determines the time course of transmitter action so inhibiting uptake prolongs the activity of the transmitter. Blocking uptake may also deplete available transmitter stores. Many clinically important drugs are uptake inhibitors although the indirect reactions of the brain rather than the acute block of uptake itself is often responsible for the therapeutic effects.

Suppliers5 total

韶远科技(上海)有限公司4000665055 · [email protected]
海济医药科技(苏州)有限公司18012778619 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

1 records
New reaction record
HRID 2312076 reaction equation
HRID 2312076As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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