Name: Name:2-{[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]sulfanyl}pyridine-3-carboxylic acid
Brand: Angene
SKU: AG01A9D7
Rating: 90 (10 reviews)

2-{[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]sulfanyl}pyridine-3-carboxylic acid

CAS No.:

1152517-45-7

Catalog Number:

AG01A9D7

Molecular Formula:

C13H16N2O3S

Molecular Weight:

280.3427

Catalog Number:

AG01A9D7

Chemical Name:

2-{[1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]sulfanyl}pyridine-3-carboxylic acid

CAS Number:

1152517-45-7

Molecular Formula:

C13H16N2O3S

Molecular Weight:

280.3427

MDL Number:

MFCD10689466

IUPAC Name:

2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxylic acid

InChI:

InChI=1S/C13H16N2O3S/c1-9(12(16)15-7-2-3-8-15)19-11-10(13(17)18)5-4-6-14-11/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)

InChI Key:

QYHDRWXPIQFSQN-UHFFFAOYSA-N

SMILES:

O=C(C(Sc1ncccc1C(=O)O)C)N1CCCC1

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.342g/mol

Monoisotopic Mass:

280.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6