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3-{[4-(pyrrolidin-1-yl)phenyl]carbamoyl}propanoic acid

3-{[4-(pyrrolidin-1-yl)phenyl]carbamoyl}propanoic acid

CAS: 510723-50-9

Formula: C14H18N2O3

SMILES: OC(=O)CCC(=O)NC1=CC=C(C=C1)N1CCCC1

IUPAC: 3-{[4-(pyrrolidin-1-yl)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C14H18N2O3/c17-13(7-8-14(18)19)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h3-6H,1-2,7-10H2,(H,15,17)(H,18,19)

Composition: C (64.11%), H (6.92%), N (10.68%), O (18.30%)

Molar Mass: 262.309

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 262.131742448
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SETQQTBFNOXQDC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.78
Topological Polar Surface Area 69.64
Polarizability 27.2
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 510723-50-9 $518.71$518.71
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