1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid

C₁₀H₁₇NO₄CAS 59378-75-5215.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₇NO₄
Molar mass: 215.25 g/mol
Exact mass: 215.1158 Da
logP: 1.33Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation22.6% of notifiers
H318 Causes serious eye damage81.1% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation20.8% of notifiers
H400 Very toxic to aquatic life81.1% of notifiers

Aggregated from 53 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

59378-75-5

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C(=O)O

InChIKey

HRMRQBJUFWFQLX-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

1-Boc-pyrrolidine-3-carboxylic acid

Work with 1-((tert-Butoxy)carbonyl)pyrrolidine-3-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.

(3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid72925-16-7Defined stereoisomer (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5Defined stereoisomer

Similar compounds

1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-386 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-486 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-386 % similar L-1-Boc-nipecotic acid88495-54-986 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-383 % similar N-Boc-piperidine-4-carboxylic acid84358-13-483 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-278 % similar 4-Boc-2-morpholinecarboxylic acid189321-66-267 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-2 N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-9 Boc-L-proline15761-39-4 Boc-D-allylglycine170899-08-8 [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-6 Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-5

Elsewhere

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