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tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

CAS: 2241129-13-3

Formula: C13H24N2O4

SMILES: CCOC(=O)CC1(N)CCN(C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-amino-3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C13H24N2O4/c1-5-18-10(16)8-13(14)6-7-15(9-13)11(17)19-12(2,3)4/h5-9,14H2,1-4H3

Composition: C (57.33%), H (8.88%), N (10.29%), O (23.50%)

Molar Mass: 272.345

Atom Count: 43

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 272.173607261
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BIENJLIIUBFKDP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.4
Topological Polar Surface Area 81.86
Polarizability 28.18
Ring Count 1
Rotatable Bond Count 6

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2241129-13-3 $402.04-$907.87$402.04$402.04$907.87$907.87
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LabNetwork INC
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95% 1 Day 2241129-13-3 $204.12-$2,721.60$204.12$395.31$907.20$2,721.60
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