Boc-N-methyl-L-alanine

C₉H₁₇NO₄CAS 16948-16-6203.24 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: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

16948-16-6

SMILES

C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C

InChIKey

VLHQXRIIQSTJCQ-LURJTMIESA-N

InChI

InChI=1S/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12)/t6-/m0/s1

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Names and synonyms

1 names

(2S)-2-(((tert-Butoxy)carbonyl)(methyl)amino)propanoic acid

Work with Boc-N-methyl-L-alanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-N-methyl-D-alanine19914-38-6Enantiomer

Similar compounds

Boc-N-methyl-L-valine45170-31-870 % similar (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-670 % similar Boc-N-methyl-L-leucine53363-89-663 % similar Boc-N-me-ser-oh101772-29-663 % similar Boc-N-methyl-L-isoleucine52498-32-562 % similar Boc-N-methyl-L-phenylalanine37553-65-454 % similar N-Boc-N-methyl-D-phenylalanine85466-66-654 % similar Boc-MeTyr-OH82038-34-453 % 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 Boc-N-ethyl glycine149794-10-5 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

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