Boc-D-phenylglycine

C₁₃H₁₇NO₄CAS 33125-05-2251.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₁₇NO₄
Molar mass: 251.28 g/mol
Exact mass: 251.1158 Da
logP: 2.34Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33125-05-2

SMILES

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

InChIKey

HOBFSNNENNQQIU-SNVBAGLBSA-N

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1

Weigh it out

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

Work with Boc-D-phenylglycine

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-Butoxycarbonylamino-phenyl-acetic acid3601-66-9Stereo not defined

Similar compounds

(R)-2-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)acetic acid53994-85-776 % similar Boc-L-3,3-diphenylalanine138662-63-274 % similar (2R,3S)-Boc-3-phenylisoserine145514-62-170 % similar (R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-665 % similar Boc-dl-phe-oh4530-18-164 % similar Boc-L-homophenylalanine100564-78-163 % similar Boc-D-homophenylalanine82732-07-863 % similar Boc-L-phenylglycinol117049-14-661 % similar

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

Same formula

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-1 Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 Cbz-D-valine1685-33-2 N-((Phenylmethoxy)carbonyl)norvaline21691-43-0 (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1 5-(Carbobenzoxyamino)valeric acid23135-50-4

Elsewhere

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