benzyl 3-[methoxy(methyl)carbamoyl]propanoate

benzyl 3-[methoxy(methyl)carbamoyl]propanoate

CAS: 1260760-22-2

Formula: C13H17NO4

SMILES: CON(C)C(=O)CCC(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-[methoxy(methyl)carbamoyl]propanoate

InChI: InChI=1S/C13H17NO4/c1-14(17-2)12(15)8-9-13(16)18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.115758031
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YZTCKSAAPZMJPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.88
Topological Polar Surface Area	55.84
Polarizability	25.91
Ring Count	1
Rotatable Bond Count	7

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