tert-butyl N-{1-[4-(hydroxymethyl)phenyl]pyrrolidin-3-yl}carbamate

tert-butyl N-{1-[4-(hydroxymethyl)phenyl]pyrrolidin-3-yl}carbamate

CAS: 889956-34-7

Formula: C16H24N2O3

SMILES: CC(C)(C)OC(=O)NC1CCN(C1)C1=CC=C(CO)C=C1

IUPAC: tert-butyl N-{1-[4-(hydroxymethyl)phenyl]pyrrolidin-3-yl}carbamate

InChI: InChI=1/C16H24N2O3/c1-16(2,3)21-15(20)17-13-8-9-18(10-13)14-6-4-12(11-19)5-7-14/h4-7,13,19H,8-11H2,1-3H3,(H,17,20)

Composition: C (65.73%), H (8.27%), N (9.58%), O (16.42%)

Molar Mass: 292.379

Atom Count: 45

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	292.178692641
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OJGHGZBOMCWACD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.69
Topological Polar Surface Area	61.8
Polarizability	31.67
Ring Count	2
Rotatable Bond Count	5

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