Name: Name:1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester,(3S,4S)-
Brand: Angene
SKU: AG01DTIS
Rating: 90 (10 reviews)

1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester,(3S,4S)-

CAS No.:

595547-21-0

Catalog Number:

AG01DTIS

Molecular Formula:

C13H21NO6

Molecular Weight:

287.3089

Catalog Number:

AG01DTIS

Chemical Name:

1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester,(3S,4S)-

CAS Number:

595547-21-0

Molecular Formula:

C13H21NO6

Molecular Weight:

287.3089

MDL Number:

MFCD29038963

IUPAC Name:

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

InChI:

InChI=1S/C13H21NO6/c1-5-19-11(17)9-7-14(6-8(9)10(15)16)12(18)20-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)

InChI Key:

BHOJIKSQYLVZHD-UHFFFAOYSA-N

SMILES:

CCOC(=O)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OC(C)(C)C

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.312g/mol

Monoisotopic Mass:

287.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6