(2S)-2-(((tert-Butoxy)carbonyl)amino)pent-4-enoic acid

C₁₀H₁₇NO₄CAS 90600-20-7215.25 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₇NO₄
Molar mass: 215.25 g/mol
Exact mass: 215.1158 Da
logP: 1.54Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

90600-20-7

SMILES

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

InChIKey

BUPDPLXLAKNJMI-ZETCQYMHSA-N

InChI

InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m0/s1

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

Names and synonyms

1 names

(S)-N-Boc-allylglycine

Work with (2S)-2-(((tert-Butoxy)carbonyl)amino)pent-4-enoic acid

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-D-allylglycine170899-08-8Enantiomer Boc-L-2-allylglycine dicyclohexylamine salt143979-15-1Salt

Similar compounds

(2S)-N-Boc-amino-non-8-enoic acid300831-21-471 % similar Boc-D-abu-oh45121-22-066 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-464 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-064 % similar N-tert-Butyloxycarbonylcysteine20887-95-064 % similar Boc-ser(me)-oh51293-47-164 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-564 % similar Boc-D-nva-oh57521-85-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-2 N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-9 Boc-L-proline15761-39-4 [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-6 Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-5

Elsewhere

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