Methyl cis-3-(boc-amino)C...

C₁₁H₁₉NO₄CAS 142733-63-9229.28 g/mol

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Carbamate Ester

Properties

Molecular formula: C₁₁H₁₉NO₄
Molar mass: 229.28 g/mol
Exact mass: 229.1314 Da
logP: 1.46Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

142733-63-9

SMILES

CC(C)(C)OC(=O)NC1CC(C1)C(=O)OC

InChIKey

LJEVCFPGOOEUKG-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-5-7(6-8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)

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Names and synonyms

1 names

Methyl cis-3-(Boc-amino)cyclobutanecarboxylate

Work with Methyl cis-3-(boc-amino)C...

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

Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-976 % similar Boc-3-iodo-D-alanine methyl ester170848-34-763 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-063 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-263 % similar Boc-leu-ome63096-02-662 % similar Boc-L-alanine methyl ester28875-17-462 % similar Boc-D-alanine methyl ester91103-47-862 % similar Boc-L-serine methyl ester2766-43-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-3

Elsewhere

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