Name: Name:methyl 4-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]benzoate
Brand: Angene
SKU: AG01B57R
Rating: 90 (10 reviews)

methyl 4-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]benzoate

CAS No.:

1955557-30-8

Catalog Number:

AG01B57R

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

Catalog Number:

AG01B57R

Chemical Name:

methyl 4-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]benzoate

CAS Number:

1955557-30-8

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

MDL Number:

MFCD30181016

IUPAC Name:

methyl 4-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]benzoate

InChI:

InChI=1S/C14H17NO3/c1-14(8-7-12(16)15-14)9-10-3-5-11(6-4-10)13(17)18-2/h3-6H,7-9H2,1-2H3,(H,15,16)

InChI Key:

NCTPQCXYADGGRW-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)CC1(C)CCC(=O)N1

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.294g/mol

Monoisotopic Mass:

247.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7