methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidine-2-carboxylate

CAS: 1217735-31-3

Formula: C14H18N2O4

SMILES: COC(=O)[C@@H]1C[C@@H](CN1)OC1=CC(NC(C)=O)=CC=C1

IUPAC: methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C14H18N2O4/c1-9(17)16-10-4-3-5-11(6-10)20-12-7-13(15-8-12)14(18)19-2/h3-6,12-13,15H,7-8H2,1-2H3,(H,16,17)/t12-,13-/m0/s1

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 278.308

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	278.126657068
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BPPKVVRSLPYDAB-STQMWFEESA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.27
Topological Polar Surface Area	76.66
Polarizability	28.53
Ring Count	2
Rotatable Bond Count	5

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