Name: Name:1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG00EC3Z
Rating: 90 (10 reviews)

1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

63674-51-1

Catalog Number:

AG00EC3Z

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$64

- +

95%

In Stock USA

United States

$125

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Product Description

Catalog Number:

AG00EC3Z

Chemical Name:

1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

63674-51-1

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

MDL Number:

MFCD02197521

IUPAC Name:

5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

InChI:

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

InChI Key:

DIVQVOIDVFIFAP-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)N1CC(CC1=O)C(=O)O)C

Properties

Complexity:

332

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:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties