Name: Name:1-Pyrrolidinecarboxylicacid, 4-(acetylthio)-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S,4S)-
Brand: Angene
SKU: AG006UMA
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylicacid, 4-(acetylthio)-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S,4S)-

CAS No.:

148017-42-9

Catalog Number:

AG006UMA

Molecular Formula:

C12H21NO4S

Molecular Weight:

275.3644

Catalog Number:

AG006UMA

Chemical Name:

1-Pyrrolidinecarboxylicacid, 4-(acetylthio)-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S,4S)-

CAS Number:

148017-42-9

Molecular Formula:

C12H21NO4S

Molecular Weight:

275.3644

MDL Number:

MFCD11616270

IUPAC Name:

tert-butyl (2S,4S)-4-acetylsulfanyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C12H21NO4S/c1-8(15)18-10-5-9(7-14)13(6-10)11(16)17-12(2,3)4/h9-10,14H,5-7H2,1-4H3/t9-,10-/m0/s1

InChI Key:

CZIBLNJSWPMUGC-UWVGGRQHSA-N

SMILES:

OC[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)SC(=O)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.363g/mol

Monoisotopic Mass:

275.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1