(2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic acid

C₁₈H₂₁NO₄CAS 76985-10-9315.37 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₈H₂₁NO₄
Molar mass: 315.37 g/mol
Exact mass: 315.1471 Da
Melting point: 91–93 °C
logP: 3.56Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

76985-10-9

SMILES

CC(C)(C)OC(O)=N[C@H](Cc1ccc2ccccc2c1)C(=O)O

InChIKey

URKWHOVNPHQQTM-OAHLLOKOSA-N

InChI

InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1

Weigh it out

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

Names and synonyms

8 names

(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenepropanoic acid
2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
BOC-(2-naphthyl)-D-alanine
N-(tert-Butoxycarbonyl)-3-(2-naphthyl)-D-alanine
(R)-2-[(tert-Butoxycarbonyl)amino]-3-(naphthalen-2-yl)propionic acid
(2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
2-Naphthalenepropanoic acid α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-

Work with (2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic 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-3-(2-naphthyl)-L-alanine58438-04-3Enantiomer

Similar compounds

Boc-L-phenylalanine13734-34-475 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-975 % similar Boc-L-tyrosine3978-80-170 % similar N-((1,1-Dimethylethoxy)carbonyl)-3-fluoro-L-phenylalanine114873-01-770 % similar Boc-3-chloro-L-phenylalanine114873-03-970 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-970 % similar 3,4-Dichloro-N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanine114873-13-170 % similar Boc-3,4-difluoro-D-phenylalanine205445-51-870 % similar

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

Same formula

Cephalotaxine24316-19-6

Elsewhere

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