Name: Name:(S)-tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
Brand: Angene
SKU: AG008RUR
Rating: 90 (10 reviews)

(S)-tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate

CAS No.:

1187931-76-5

Catalog Number:

AG008RUR

Molecular Formula:

C11H18N2O2

Molecular Weight:

210.2728

Catalog Number:

AG008RUR

Chemical Name:

(S)-tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate

CAS Number:

1187931-76-5

Molecular Formula:

C11H18N2O2

Molecular Weight:

210.2728

MDL Number:

MFCD06738465

IUPAC Name:

tert-butyl (3S)-3-(cyanomethyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3/t9-/m1/s1

InChI Key:

IPLBXZOFLWOERN-SECBINFHSA-N

SMILES:

N#CC[C@@H]1CCN(C1)C(=O)OC(C)(C)C

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.277g/mol

Monoisotopic Mass:

210.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2