Boc-dl-phe-oh

C₁₄H₁₉NO₄CAS 4530-18-1265.31 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₁₉NO₄
Molar mass: 265.31 g/mol
Exact mass: 265.1314 Da
logP: 2.21Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% 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

4530-18-1

SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChIKey

ZYJPUMXJBDHSIF-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)

Weigh it out

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

Work with Boc-dl-phe-oh

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-L-phenylalanine13734-34-4Defined stereoisomer N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9Defined stereoisomer

Similar compounds

Boc-D-4,4'-biphenylalanine128779-47-586 % similar Boc-L-4,4'-biphenylalanine147923-08-886 % similar Boc-D-tyr(bzl)-oh63769-58-481 % similar Boc-D-bpa-oh117666-94-181 % similar Boc-L-homophenylalanine100564-78-180 % similar Boc-D-tyr-oh70642-86-380 % similar Boc-D-homophenylalanine82732-07-880 % similar Boc-3-methyl-L-phenylalanine114873-06-279 % similar

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

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook