Boc-L-homophenylalanine

C₁₅H₂₁NO₄CAS 100564-78-1279.34 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₅H₂₁NO₄
Molar mass: 279.34 g/mol
Exact mass: 279.1471 Da
logP: 2.60Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 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

100564-78-1

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)O

InChIKey

MCODLPJUFHPVQP-LBPRGKRZSA-N

InChI

InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(2S)-2-(((tert-Butoxy)carbonyl)amino)-4-phenylbutanoic acid

Work with Boc-L-homophenylalanine

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-homophenylalanine82732-07-8Enantiomer

Similar compounds

Boc-homo-L-tyrosine198473-94-880 % similar Boc-dl-phe-oh4530-18-180 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-874 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-873 % similar Boc-D-cys(bzl)-oh102830-49-971 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-470 % similar Boc-D-4,4'-biphenylalanine128779-47-569 % similar Boc-L-4,4'-biphenylalanine147923-08-869 % similar

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

Same formula

(3R)-3-(((tert-Butoxy)carbonyl)amino)-4-phenylbutanoic acid101555-61-7 Boc-L-2-methylphenylalanine114873-05-1 Boc-3-methyl-L-phenylalanine114873-06-2 (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-2 N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate21615-36-1 N-Cbz-N-methyl-L-leucine33099-08-0 Boc-N-methyl-L-phenylalanine37553-65-4 (3S)-3-(((tert-Butoxy)carbonyl)amino)-3-(4-methylphenyl)propanoic acid479064-96-5

Elsewhere

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