Name: Name:1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)-
Brand: Angene
SKU: AG007MXG
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)-

CAS No.:

136140-32-4

Catalog Number:

AG007MXG

Molecular Formula:

C11H17NO4S

Molecular Weight:

259.3220

Catalog Number:

AG007MXG

Chemical Name:

1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)-

CAS Number:

136140-32-4

Molecular Formula:

C11H17NO4S

Molecular Weight:

259.3220

MDL Number:

MFCD11616271

IUPAC Name:

prop-2-enyl (2S,4S)-4-acetylsulfanyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C11H17NO4S/c1-3-4-16-11(15)12-6-10(17-8(2)14)5-9(12)7-13/h3,9-10,13H,1,4-7H2,2H3/t9-,10-/m0/s1

InChI Key:

KYXFEVCYBUTEBV-UWVGGRQHSA-N

SMILES:

CC(=O)S[C@@H]1CN([C@@H](C1)CO)C(=O)OCC=C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.32g/mol

Monoisotopic Mass:

259.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8