D-Serine,o-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-,methyl ester

CAS

93204-37-6

Catalog Number

ACM93204376

Category

Other Products

Molecular Weight

309.36

Molecular Formula

C₁₆H₂₃NO₅

MSDS COA Spec Sheet

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Specification

Synonyms

SureCN344382, CTK8G3893, Z-O-tert-butyl-D-serine methyl ester, AG-L-67071, 93204-37-6

IUPAC Name

methyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate

Canonical SMILES

CC(C)(C)OCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI Key

UMAXPCYVVRYQNO-CYBMUJFWSA-N

Exact Mass

309.15800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula is C16H23NO5.

What are the synonyms of the compound?

The synonyms of the compound include Z-D-SER(TBU)-OME, 93204-37-6, methyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate, Z-O-tert-butyl-D-serine methyl ester, and SCHEMBL344382.

What is the molecular weight of the compound?

The molecular weight of the compound is 309.36 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H23NO5/c1-16(2,3)22-11-13(14(18)20-4)17-15(19)21-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)/t13-/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is UMAXPCYVVRYQNO-CYBMUJFWSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)OCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.2.

Does the compound have a defined atom stereocenter count?

Yes, the compound has a defined atom stereocenter count of 1.

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