CAS 69338-35-8 | 1-Pyrrolidinebutanoicacid, g-oxo- | CAS Number 69338-35-8

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69338-35-8 | 1-Pyrrolidinebutanoicacid, g-oxo-

CAS No: 69338-35-8 Catalog No: AG006FUX MDL No:MFCD00030529

Product Description

Catalog Number:

AG006FUX

Chemical Name:

1-Pyrrolidinebutanoicacid, g-oxo-

CAS Number:

69338-35-8

Molecular Formula:

C8H13NO3

Molecular Weight:

171.1937

MDL Number:

MFCD00030529

IUPAC Name:

4-oxo-4-pyrrolidin-1-ylbutanoic acid

InChI:

InChI=1S/C8H13NO3/c10-7(3-4-8(11)12)9-5-1-2-6-9/h1-6H2,(H,11,12)

InChI Key:

ADSJBLXBDQWPHY-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC1)CCC(=O)O

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.196g/mol

Monoisotopic Mass:

171.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501