CAS 3262-72-4|CAS 6368-20-3|N-α-t-BOC-D-SERINE|(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acid|(2S)-2-[(tert-Butoxycarbonyl)amino]-3-hydroxypropanoic acid|(2R)-2-[(tert-butoxycar...

General Information

Structure

Molecular Formula

C₈H₁₅NO₅

Molecular Mass

205.2084

Exact Mass

205.09502259

Charge

InChI

InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1

InChIKey

FHOAKXBXYSJBGX-RXMQYKEDSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

3.7772732

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8576726

LogD (pH = 7.4)

-3.4061964

Log P

-0.1335239

Molar Refractivity

46.914

Polarizability

18.691622

Polar Surface Area

95.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acid

Synonyms

N-α-t-BOC-D-SERINE(2S)-2-[(tert-Butoxycarbonyl)amino]-3-hydroxypropanoic acidBoc-D-Ser-OHBoc-D-serineBoc-D-丝氨酸N-Boc-D-serineN-Boc-D-丝氨酸Boc-D-Ser-OHN-(tert-Butoxycarbonyl)-D-serineBOC-L-SerineBoc-D-serineN-t-Boc-D-丝氨酸Boc-D-丝氨酸N-(叔丁氧羰基)-D-丝氨酸N-t-Boc-D-Serine

IUPAC Traditional name

(2R)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoic acid

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

MDL Number

Beilstein Number