L-Pyroglutamic acid

C₅H₇NO₃CAS 98-79-3129.12 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₅H₇NO₃
Molar mass: 129.12 g/mol
Exact mass: 129.0426 Da
Melting point: 184.7 °C
logP: 0.19Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation21.9% of notifiers
H318 Causes serious eye damage78.1% of notifiers
H319 Causes serious eye irritation20.4% of notifiers
H335 May cause respiratory irritation21.6% of notifiers

Aggregated from 343 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98-79-3

SMILES

O=C(O)[C@@H]1CCC(O)=N1

InChIKey

ODHCTXKNWHHXJC-VKHMYHEASA-N

InChI

InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

48 names · show all

L-Proline, 5-oxo-
Proline, 5-oxo-, L-
5-Oxo-L-proline
L-5-Carboxy-2-pyrrolidinone
L-Pyrrolidonecarboxylic acid
L-Pyrrolidinonecarboxylic acid
L-5-Oxoproline
(-)-Pyroglutamic acid
Glutimic acid
Glutiminic acid
(S)-(-)-γ-Butyrolactam-γ-carboxylic acid
2-Pyrrolidinone-5-carboxylic acid
Pyroglutamic acid
Oxoproline
Pyrrolidinonecarboxylic acid
5-Oxoproline
Pyrrolidonecarboxylic acid
Pyrrolidone-5-carboxylic acid
L-2-Pyrrolidone-5-carboxylic acid
5-Pyrrolidinone-2-carboxylic acid
L-5-Oxo-2-pyrrolidinecarboxylic acid
5-Carboxy-2-pyrrolidinone
L-Glutamic acid, γ-lactam
PCA
Ajidew A 100
2-L-Pyrrolidone-5-carboxylic acid
L-Glutimic acid
L-Glutiminic acid
(S)-Pyroglutamic acid
(S)-5-Oxo-2-pyrrolidinecarboxylic acid
Pidolic acid
(-)-2-Pyrrolidone-5-carboxylic acid
(5S)-2-Oxopyrrolidine-5-carboxylic acid
(S)-(-)-2-Pyrrolidone-5-carboxylic acid
(S)-2-Pyrrolidone-5-carboxylic acid
Pidolidone
2-Oxopyrrolidine-5(S)-carboxylic acid
Oxopyrrolidinecarboxylic acid
NSC 143034
(2S)-5-Oxopyrrolidine-2-carboxylic acid
PCA 50
(S)-5-Oxoproline
L-(-)-Pyroglutamic acid
(S)-5-Oxo-1H-pyrrolidine-2-carboxylic acid
Pyroglutamine
L-Pyroglutamine
Take off booster
VLS 3000-01

Work with L-Pyroglutamic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Pyroglutamic acid4042-36-8Enantiomer Pyroglutamic acid149-87-1Stereo not defined L-Arginine L-pyroglutamate56265-06-6Salt Zinc PCA15454-75-8Salt, stereo not defined Sodium pyroglutamate28874-51-3Salt Metadoxine74536-44-0Salt N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid192726-06-0Salt

Similar compounds

6-Oxopiperidine-2-carboxylic acid3770-22-778 % similar Glycyl-L-glutamic acid7412-78-462 % similar Glycyl-L-glutamine13115-71-458 % similar Methyl pyroglutamate4931-66-255 % similar Methyl 5-oxopyrrolidine-2-carboxylate54571-66-355 % similar Alpha-guanidinoglutaric acid73477-53-953 % similar Pidotimod121808-62-653 % similar Fasoracetam110958-19-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Acetoxy-2-azetidinone28562-53-0 Ethyl isocyanatoacetate2949-22-6 2-Acetamidoacrylic acid5429-56-1 Dimethadione695-53-4

Elsewhere

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