N-Boc-cis-4-hydroxy-L-proline

C₁₀H₁₇NO₅CAS 87691-27-8231.25 g/mol

Open in Covalent MOL file

Alcohol Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₇NO₅
Molar mass: 231.25 g/mol
Exact mass: 231.1107 Da
logP: 0.44Crippen estimate
Polar surface area: 87.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

87691-27-8

SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)O

InChIKey

BENKAPCDIOILGV-BQBZGAKWSA-N

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(2S,4S)-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Work with N-Boc-cis-4-hydroxy-L-proline

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.

N-Boc-cis-4-hydroxy-D-proline135042-12-5Enantiomer 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-7Diastereomer (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-0Diastereomer

Similar compounds

(2S,4S)-N-Boc-4-methylpyrrolidine-2-carboxylic acid364750-81-273 % similar (2S,4S)-1-((tert-Butoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid203866-13-170 % similar (2S,4R)-1-[(tert-Butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid203866-14-270 % similar (2R,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid681128-50-770 % similar (2R,4R)-1-[(tert-Butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid681128-51-870 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-968 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-668 % similar 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate135042-17-068 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-8 4-Boc-2-morpholinecarboxylic acid189321-66-2 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-6 4-Boc-3(R)-morpholinecarboxylic acid869681-70-9 (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid884512-77-0

Elsewhere

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