Name: Name:1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(3-thiazolidinylcarbonyl)-,1,1-dimethylethyl ester, (2S,4R)-
Brand: Angene
SKU: AG00IM7B
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(3-thiazolidinylcarbonyl)-,1,1-dimethylethyl ester, (2S,4R)-

CAS No.:

401564-30-5

Catalog Number:

AG00IM7B

Molecular Formula:

C13H22N2O4S

Molecular Weight:

302.3898

Catalog Number:

AG00IM7B

Chemical Name:

1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(3-thiazolidinylcarbonyl)-,1,1-dimethylethyl ester, (2S,4R)-

CAS Number:

401564-30-5

Molecular Formula:

C13H22N2O4S

Molecular Weight:

302.3898

MDL Number:

MFCD22665914

IUPAC Name:

tert-butyl (2S,4R)-4-hydroxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C13H22N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h9-10,16H,4-8H2,1-3H3/t9-,10+/m1/s1

InChI Key:

CABJFRFFUZMDSS-ZJUUUORDSA-N

SMILES:

O[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N1CCSC1

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.13g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.389g/mol

Monoisotopic Mass:

302.13g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7