CAS 714971-28-5|tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate|tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate|(S)-4-Boc-(3-hydroxymethyl)morpholine|(3S)-3-(Hydroxymethyl)-4-mor...

General Information

Structure

Molecular Formula

C₁₀H₁₉NO₄

Molecular Mass

217.26216

Exact Mass

217.13140809

Charge

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1

InChIKey

AIQSXVGBMCJQAG-QMMMGPOBSA-N

Canonic Smiles

OC[C@H]1COCCN1C(=O)OC(C)(C)C

Isomeric Smiles

N1([C@H](COCC1)CO)C(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

15.016457

H Acceptors

H Donor

LogD (pH = 5.5)

0.24147919

LogD (pH = 7.4)

0.24147919

Log P

0.24147919

Molar Refractivity

54.7255

Polarizability

21.70826

Polar Surface Area

59.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate

IUPAC name

tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate

Synonyms

(S)-4-Boc-(3-hydroxymethyl)morpholine(3S)-3-(Hydroxymethyl)-4-morpholinecarboxylic Acid 1,1-Dimethylethyl Estertert-Butyl (3S)-3-(Hydroxymethyl)morpholine-4-carboxylate(S)-3-Hydroxymethylmorpholine-4-carboxylic Acid tert-Butyl Ester(S)-N-Boc-3-Hydroxymethylmorpholine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties