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(1S,2S)-2-[(tert-butoxycarbonyl)amino]cyclopropane-1-carboxylic acid

(1S,2S)-2-[(tert-butoxycarbonyl)amino]cyclopropane-1-carboxylic acid

CAS: 1212381-16-2

Formula: C9H15NO4

SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(O)=O

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

InChI: InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5(6)7(11)12/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6-/m0/s1

Composition: C (53.72%), H (7.51%), N (6.96%), O (31.80%)

Molar Mass: 201.222

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 201.100107967
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NOZMNADEEKQWGO-WDSKDSINSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.09
Topological Polar Surface Area 75.63
Polarizability 19.11
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1212381-16-2 $171.35-$2,748.50$171.35$227.70$342.70$457.70$687.70$2,748.50
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