(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

CAS: 755025-16-2

Formula: C14H17NO5

SMILES: COC1=CC=C(CN2C[C@H](CC2=O)C(O)=O)C(OC)=C1

IUPAC: (3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1S/C14H17NO5/c1-19-11-4-3-9(12(6-11)20-2)7-15-8-10(14(17)18)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,18)/t10-/m0/s1

Composition: C (60.21%), H (6.14%), N (5.02%), O (28.64%)

Molar Mass: 279.292

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.110672651
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OZFGRQLUQFPWPR-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.78
Topological Polar Surface Area	76.07
Polarizability	27.48
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	755025-16-2		$195.46-$2,013.82$195.46$604.02$1,007.54$2,013.82