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1-{[(pyridin-3-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid

1-{[(pyridin-3-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid

Formula: C13H16N2O3

SMILES: OC(=O)C1(CC(=O)NC2=CC=CN=C2)CCCC1

IUPAC: 1-{[(pyridin-3-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid

InChI: InChI=1S/C13H16N2O3/c16-11(15-10-4-3-7-14-9-10)8-13(12(17)18)5-1-2-6-13/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)(H,17,18)

Composition: C (62.89%), H (6.50%), N (11.28%), O (19.33%)

Molar Mass: 248.282

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.116092383
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PITWTFQKZMEVBO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.13
Topological Polar Surface Area 79.29
Polarizability 25.18
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H16N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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