CAS 95715-85-8|methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate|methyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate|Boc-D-Serine methyl ester|N-(叔丁氧基羰基)-D-丝氨酸甲酯...

General Information

Structure

Molecular Formula

C₉H₁₇NO₅

Molecular Mass

219.23498

Exact Mass

219.11067265

Charge

InChI

InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m1/s1

InChIKey

SANNKFASHWONFD-ZCFIWIBFSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

13.126097

H Acceptors

H Donor

LogD (pH = 5.5)

0.012370152

LogD (pH = 7.4)

0.012369436

Log P

0.012370162

Molar Refractivity

51.6831

Polarizability

20.737991

Polar Surface Area

84.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate

Synonyms

Boc-D-Serine methyl esterN-(tert-Butoxycarbonyl)-D-serine methyl esterN-(叔丁氧基羰基)-D-丝氨酸甲酯N-tert-Butoxycarbonyl-D-Serine Methyl EsterN-[(1,1-Dimethylethoxy)carbonyl]-D-serine Methyl Estertert-Butyl [(R)-1-(Methoxycarbonyl)-2-hydroxyethyl]carbamate(R)-Methyl 2-(tert-Butoxycarbonylamino)-3-hydroxypropanoate

IUPAC Traditional name

methyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number