Name: Name:1,2-Azetidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG0023J6
Rating: 90 (10 reviews)

1,2-Azetidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) ester

CAS No.:

1822531-69-0

Catalog Number:

AG0023J6

Molecular Formula:

C9H14NO5-

Molecular Weight:

216.2112

Catalog Number:

AG0023J6

Chemical Name:

1,2-Azetidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) ester

CAS Number:

1822531-69-0

Molecular Formula:

C9H14NO5-

Molecular Weight:

216.2112

MDL Number:

MFCD24533651

IUPAC Name:

3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid

InChI:

InChI=1S/C9H15NO5/c1-9(2,3)15-8(14)10-4-5(11)6(10)7(12)13/h5-6,11H,4H2,1-3H3,(H,12,13)

InChI Key:

DZQJIHHAEOZFPK-UHFFFAOYSA-N

SMILES:

OC1CN(C1C(=O)[O-])C(=O)OC(C)(C)C

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.221g/mol

Monoisotopic Mass:

217.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4