CAS 106391-86-0|N-Boc-D-Alaninol|tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate|tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate|D-Alaninol, N-BOC protected|tert-Butyl [(2R)-1-hydroxyprop-2-yl]c...

General Information

Structure

Molecular Formula

C₈H₁₇NO₃

Molecular Mass

175.22548

Exact Mass

175.12084341

Charge

InChI

InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1

InChIKey

PDAFIZPRSXHMCO-ZCFIWIBFSA-N

Canonic Smiles

OC[C@H](NC(=O)OC(C)(C)C)C

Isomeric Smiles

C([C@H](NC(=O)OC(C)(C)C)C)O

Calculated Properties

JChem

Acid pKa

14.494527

H Acceptors

H Donor

LogD (pH = 5.5)

0.5931115

LogD (pH = 7.4)

0.5931115

Log P

0.5931115

Molar Refractivity

45.5029

Polarizability

18.026667

Polar Surface Area

58.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-Boc-D-AlaninolD-Alaninol, N-BOC protectedtert-Butyl [(2R)-1-hydroxyprop-2-yl]carbamate(2R)-2-Aminopropan-1-ol, N-BOC protectedN-Boc-D-丙氨醇(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol(R)-(+)-2-(叔丁氧羰基氨基)-1-丙醇(R)-2-(叔丁氧羰基氨基)-1-丙醇Boc-D-丙氨醇N-Boc-D-alaninol(R)-2-(Boc-氨基)-1-丙醇(R)-2-(Boc-amino)-1-propanolBoc-D-alaninol(R)-2-(Boc-amino)-1-propanolN-Boc-D-alaninolBoc-D-Ala-olN-Boc-D-氨基丙醇

IUPAC Traditional name

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

IUPAC name

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

Names and Identifiers

Registration numbers

PubChem CID

13200309

PubChem SID

16203528424870609

CAS Number

106391-86-0