Boc-N-ethyl glycine

C₉H₁₇NO₄CAS 149794-10-5203.24 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₇NO₄
Molar mass: 203.24 g/mol
Exact mass: 203.1158 Da
logP: 1.33Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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

149794-10-5

SMILES

CCN(CC(=O)O)C(=O)OC(C)(C)C

InChIKey

SPBIXXXFDSLALC-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO4/c1-5-10(6-7(11)12)8(13)14-9(2,3)4/h5-6H2,1-4H3,(H,11,12)

Weigh it out

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

Work with Boc-N-ethyl glycine

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-(tert-Butoxycarbonyl)iminodiacetic Acid56074-20-581 % similar 4-Boc-1-piperazineacetic acid156478-71-666 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-662 % similar N-Boc-(ethylamino)acetaldehyde315718-06-058 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-657 % similar 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-856 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-555 % similar ((Bis((1,1-dimethylethoxy)carbonyl)amino)oxy)acetic acid293302-31-554 % similar

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

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3 Boc-N-methyl-D-alanine19914-38-6

Elsewhere

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