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1-[(tert-butoxycarbonyl)amino]-2-methylcyclobutane-1-carboxylic acid

1-[(tert-butoxycarbonyl)amino]-2-methylcyclobutane-1-carboxylic acid

CAS: 1860337-63-8

Formula: C11H19NO4

SMILES: CC1CCC1(NC(=O)OC(C)(C)C)C(O)=O

IUPAC: 1-{[(tert-butoxy)carbonyl]amino}-2-methylcyclobutane-1-carboxylic acid

InChI: InChI=1/C11H19NO4/c1-7-5-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)

Composition: C (57.63%), H (8.35%), N (6.11%), O (27.91%)

Molar Mass: 229.276

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 229.131408096
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JTWNSXKMNKBCMH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.2
Topological Polar Surface Area 75.63
Polarizability 22.76
Ring Count 1
Rotatable Bond Count 4

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