2-tert-Butoxycarbonylamino-acrylic acid methyl ester

C₉H₁₅NO₄CAS 55477-80-0201.22 g/mol

Open in Covalent MOL file

Alkene Carbamate Ester

Properties

Molecular formula: C₉H₁₅NO₄
Molar mass: 201.22 g/mol
Exact mass: 201.1001 Da
logP: 1.20Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55477-80-0

SMILES

CC(C)(C)OC(=O)NC(=C)C(=O)OC

InChIKey

MGBHVVGQPZDMHA-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)

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Names and synonyms

1 names

Methyl 2-((tert-butoxycarbonyl)amino)prop-2-enoate

Work with 2-tert-Butoxycarbonylamino-acrylic acid methyl ester

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

Boc-glycine methyl ester31954-27-545 % similar tert-Butyl 2-fluoroacrylate85345-86-443 % similar tert-Butyl methylcarbamate16066-84-543 % similar Boc-L-alanine methyl ester28875-17-443 % similar Boc-D-alanine methyl ester91103-47-843 % similar Boc-val-ome58561-04-941 % similar tert-Butyl methacrylate585-07-941 % similar Methyl cis-3-(boc-amino)C...142733-63-940 % similar

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

Same formula

1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-6 1-Boc-Azetidine-3-carboxylic acid142253-55-2 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-7 Boc-D-azetidine-2-carboxylic acid228857-58-7 1-Boc-L-azetidine-2-carboxylic acid51077-14-6 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal54621-18-0 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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