3-[(tert-butoxycarbonyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

3-[(tert-butoxycarbonyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

CAS: 903094-83-7

Formula: C16H21NO4

SMILES: CC(C)(C)OC(=O)NC1CC2=CC=CC=C2CC1C(O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

InChI: InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-13-9-11-7-5-4-6-10(11)8-12(13)14(18)19/h4-7,12-13H,8-9H2,1-3H3,(H,17,20)(H,18,19)

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	291.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WDICICLPVPLNHO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.83
Topological Polar Surface Area	75.63
Polarizability	30.45
Ring Count	2
Rotatable Bond Count	4

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