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1-{3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoyl}piperidine-4-carboxylic acid

1-{3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoyl}piperidine-4-carboxylic acid

CAS: 1142209-81-1

Formula: C18H26N2O5

SMILES: CCOC(=O)C1=C(C)C(CCC(=O)N2CCC(CC2)C(O)=O)=C(C)N1

IUPAC: 1-{3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoyl}piperidine-4-carboxylic acid

InChI: InChI=1S/C18H26N2O5/c1-4-25-18(24)16-11(2)14(12(3)19-16)5-6-15(21)20-9-7-13(8-10-20)17(22)23/h13,19H,4-10H2,1-3H3,(H,22,23)

Composition: C (61.70%), H (7.48%), N (7.99%), O (22.83%)

Molar Mass: 350.415

Atom Count: 51

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 350.184171945
Formal Charge 0
FSP3 0.61
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SHRUXHHMCQWNQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.57
Topological Polar Surface Area 99.7
Polarizability 35.47
Ring Count 2
Rotatable Bond Count 7

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95% <2 Days 1142209-81-1 $202.14$202.14
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