tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate

C₁₄H₂₁NO₃CAS 106454-69-7251.33 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₄H₂₁NO₃
Molar mass: 251.33 g/mol
Exact mass: 251.1521 Da
logP: 2.11Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
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 the 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

106454-69-7

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CO

InChIKey

LDKDMDVMMCXTMO-GFCCVEGCSA-N

InChI

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1

Weigh it out

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

Names and synonyms

1 names

N-Boc-D-phenylalaninol

Work with tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate

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-Butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate66605-57-0Enantiomer N-Boc-DL-phenylalaninol145149-48-0Stereo not defined

Similar compounds

Lcz696 intemediate1426129-50-188 % similar N-Boc-(S)-2-amino-3-benzyloxy-1-propanol79069-15-175 % similar (S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-671 % similar Boc-L-phenylglycinol117049-14-666 % similar Boc-dl-phe-oh4530-18-165 % similar Cbz-D-phenylalaninol58917-85-465 % similar (S)-Cbz-phenylalaninol6372-14-165 % similar Boc-D-tryptophanol158932-00-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Nitrophenoxy)octane37682-29-4 2,6-Di-tert-butyl-4-nitrophenol728-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook