(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid

C10H17NO4CAS 1008773-79-2215.25 g/mol

Open in Covalent MOL file
OOHNOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C10H17NO4
Molar mass
215.25 g/mol
Exact mass
215.1158 Da
logP
1.37Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1008773-79-2
SMILES
CC(C)(C)OC(=O)NC1CC(C1)C(=O)O
InChIKey
KLCYDBAYYYVNFM-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • cis-3-Boc-aminocyclobutanecarboxylic acid

Work with (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-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

Similar compounds

3-(((tert-Butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid334932-13-779 % similar tert-Butyl (3-hydroxycyclobutyl)carbamate389890-43-165 % similar Methyl cis-3-(boc-amino)C...142733-63-963 % similar tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-062 % similar exo-3-Boc-aminotropane132234-68-561 % similar Boc-dl-alanine3744-87-461 % similar Boc-D-abu-oh45121-22-060 % similar Boc-D-cyclopropylglycine609768-49-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5 (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 (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook