3-[2-(2-{2-[(tert-butoxycarbonyl)amino]ethoxy}ethoxy)ethoxy]propanoic acid

3-[2-(2-{2-[(tert-butoxycarbonyl)amino]ethoxy}ethoxy)ethoxy]propanoic acid

CAS: 1347750-75-7

Formula: C14H27NO7

SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCC(O)=O

IUPAC: 3-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}propanoic acid

InChI: InChI=1S/C14H27NO7/c1-14(2,3)22-13(18)15-5-7-20-9-11-21-10-8-19-6-4-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)

Composition: C (52.32%), H (8.47%), N (4.36%), O (34.85%)

Molar Mass: 321.37

Atom Count: 49

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	321.178752213
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PFAQEUVPPBOTTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.71
Topological Polar Surface Area	103.32
Polarizability	31.17
Ring Count	0
Rotatable Bond Count	14

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