Boc-dl-alanine

C₈H₁₅NO₄CAS 3744-87-4189.21 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₈H₁₅NO₄
Molar mass: 189.21 g/mol
Exact mass: 189.1001 Da
logP: 0.98Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3744-87-4

SMILES

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

InChIKey

QVHJQCGUWFKTSE-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2-N-Boc-aminopropionic acid

Work with Boc-dl-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.

tert-Butoxycarbonylalanine15761-38-3Defined stereoisomer Boc-D-alanine7764-95-6Defined stereoisomer

Similar compounds

Boc-D-valine22838-58-067 % similar Boc-dl-valine54895-12-467 % similar Boc-D-alpha-T-butylglycine124655-17-064 % similar Boc-D-thr(tbu)-oh201217-86-962 % similar Boc-ala-nh285642-13-361 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-261 % similar N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-161 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-961 % similar

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

Same formula

[(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-6 N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-3 Dl-alpha-aminosuberic acid19641-59-9 4-tert-Butyl hydrogen L-aspartate3057-74-7 Boc-glycine methyl ester31954-27-5 Boc-β-alanine3303-84-2 H-Asp-otbu4125-93-3

Elsewhere

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