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5-[(4-methylpyridin-2-yl)carbamoyl]pentanoic acid

5-[(4-methylpyridin-2-yl)carbamoyl]pentanoic acid

CAS: 405270-96-4

Formula: C12H16N2O3

SMILES: CC1=CC(NC(=O)CCCCC(O)=O)=NC=C1

IUPAC: 5-[(4-methylpyridin-2-yl)carbamoyl]pentanoic acid

InChI: InChI=1S/C12H16N2O3/c1-9-6-7-13-10(8-9)14-11(15)4-2-3-5-12(16)17/h6-8H,2-5H2,1H3,(H,16,17)(H,13,14,15)

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.116092383
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IJVVSZYWTSPYNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.21
Topological Polar Surface Area 79.29
Polarizability 23.99
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 405270-96-4 $404.27$404.27
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