(R)-tert-Butyl (2-oxooxetan-3-yl)carbamate

C₈H₁₃NO₄CAS 126330-77-6187.19 g/mol

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Carbamate Ester Lactone

Properties

Molecular formula: C₈H₁₃NO₄
Molar mass: 187.19 g/mol
Exact mass: 187.0845 Da
logP: 0.44Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

126330-77-6

SMILES

CC(C)(C)OC(=O)N[C@@H]1COC1=O

InChIKey

HRJDEHQWXAPGBG-RXMQYKEDSA-N

InChI

InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1

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Names and synonyms

1 names

Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester (9ci)

Work with (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate

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

N-Boc-3-iodo-L-alanine benzyl ester108957-20-654 % similar exo-3-Boc-aminotropane132234-68-554 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-453 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-351 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-050 % similar Boc-D-glu(otbu)-oh104719-63-349 % similar Boc-trans-4-aminocyclohexanol111300-06-249 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-949 % similar

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

Elsewhere

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