chempirical

[1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid

C10H17NO4CAS 183062-96-6215.25 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
183062-96-6
SMILES
CC(C)(C)OC(=O)N1CC(CC(=O)O)C1
InChIKey
VEFHUWJIRFTGRB-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(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

5 names
  • 3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
  • 1-[(1,1-Dimethylethoxy)carbonyl]-3-azetidineacetic acid
  • 3-Carboxymethylazetidine-1-carboxylic acid tert-butyl ester
  • 2-(1-(tert-Butoxycarbonyl)azetidin-3-yl)acetic acid
  • 2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

Work with [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic 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

1-Boc-pyrrolidine-3-acetic acid175526-97-379 % similar (R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester204688-60-879 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-979 % similar N-Boc-3-piperidineacetic acid183483-09-275 % similar (S)-2-(1-(tert-Butoxycarbonyl)piperidin-3-yl)acetic acid941289-27-675 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-574 % similar 1-Boc-azetidine-3-ylmethanol142253-56-365 % similar N-(tert-Butoxycarbonyl)iminodiacetic Acid56074-20-564 % 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 (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 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

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