3-[(tert-butoxycarbonyl)amino]-3-(oxan-4-yl)propanoic acid

3-[(tert-butoxycarbonyl)amino]-3-(oxan-4-yl)propanoic acid

CAS: 887588-90-1

Formula: C13H23NO5

SMILES: CC(C)(C)OC(=O)NC(CC(O)=O)C1CCOCC1

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid

InChI: InChI=1/C13H23NO5/c1-13(2,3)19-12(17)14-10(8-11(15)16)9-4-6-18-7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)

Composition: C (57.13%), H (8.48%), N (5.12%), O (29.27%)

Molar Mass: 273.329

Atom Count: 42

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	273.157622845
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AUWJFVZVUBWQPT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.54
Topological Polar Surface Area	84.86
Polarizability	27.15
Ring Count	1
Rotatable Bond Count	6

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