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3-({3-[(2-methoxyethyl)carbamoyl]phenyl}carbamoyl)propanoic acid

3-({3-[(2-methoxyethyl)carbamoyl]phenyl}carbamoyl)propanoic acid

CAS: 940499-29-6

Formula: C14H18N2O5

SMILES: COCCNC(=O)C1=CC=CC(NC(=O)CCC(O)=O)=C1

IUPAC: 3-({3-[(2-methoxyethyl)carbamoyl]phenyl}carbamoyl)propanoic acid

InChI: InChI=1S/C14H18N2O5/c1-21-8-7-15-14(20)10-3-2-4-11(9-10)16-12(17)5-6-13(18)19/h2-4,9H,5-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)

Composition: C (57.14%), H (6.16%), N (9.52%), O (27.18%)

Molar Mass: 294.307

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 294.121571688
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey CEQWNZITQHQYPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.83
Topological Polar Surface Area 104.73
Polarizability 28.56
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 940499-29-6 $212.83-$327.27$212.83$327.27
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