Name: Name:1,3-Pyrrolidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG000H0V
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) ester

CAS No.:

1158759-28-4

Catalog Number:

AG000H0V

Molecular Formula:

C11H15N2O4-

Molecular Weight:

239.2478

Catalog Number:

AG000H0V

Chemical Name:

1,3-Pyrrolidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) ester

CAS Number:

1158759-28-4

Molecular Formula:

C11H15N2O4-

Molecular Weight:

239.2478

MDL Number:

MFCD12406590

IUPAC Name:

3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C11H16N2O4/c1-10(2,3)17-9(16)13-5-4-11(6-12,7-13)8(14)15/h4-5,7H2,1-3H3,(H,14,15)

InChI Key:

HCNPLTDBJWRSOX-UHFFFAOYSA-N

SMILES:

N#CC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)[O-]

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.259g/mol

Monoisotopic Mass:

240.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6