(2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid

C₅H₉NO₃CAS 3398-22-9131.13 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₉NO₃
Molar mass: 131.13 g/mol
Exact mass: 131.0582 Da
logP: -1.21Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

3398-22-9

SMILES

C1[C@@H](CN[C@H]1C(=O)O)O

InChIKey

PMMYEEVYMWASQN-IUYQGCFVSA-N

InChI

InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1

Weigh it out

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

Names and synonyms

1 names

trans-4-Hydroxy-D-proline

Work with (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic 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.

Hydroxyproline51-35-4Enantiomer cis-4-Hydroxy-L-proline618-27-9Diastereomer cis-4-Hydroxy-D-proline2584-71-6Diastereomer (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-7Salt (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-6Salt, diastereomer

Similar compounds

(2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-860 % similar (2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acid2438-57-560 % similar (4R)-4-Fluoro-L-proline2507-61-160 % similar (4S)-4-Cyclohexyl-L-proline103201-78-155 % similar (4R)-4-Fluoro-L-proline hcl60604-36-655 % similar 3-Hydroxycyclobutanecarboxylic acid194788-10-850 % similar (4R)-4-(1,1-Dimethylethoxy)-L-proline79775-07-850 % similar trans-4-Cyclohexyl-L-proline hydrochloride90657-55-950 % similar

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

Same formula

5-Aminolevulinic acid106-60-5 (S)-Morpholine-3-carboxylic acid106825-79-0 N-Acetylalanine1115-69-1 3-Aminotetrahydrofuran-3-carboxylic acid125218-55-5 N-Acetyl-D-alanine19436-52-3 Acetyl-β-alanine3025-95-4 Ethyl N-formylglycinate3154-51-6

Elsewhere

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