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tert-butyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-(dimethylcarbamoyl)ethyl]carbamate

tert-butyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-(dimethylcarbamoyl)ethyl]carbamate

CAS: 752251-02-8

Formula: C16H24N2O5

SMILES: CN(C)C(=O)[C@H](CC1=CC=C(O)C(O)=C1)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(1S)-2-(3,4-dihydroxyphenyl)-1-(dimethylcarbamoyl)ethyl]carbamate

InChI: InChI=1S/C16H24N2O5/c1-16(2,3)23-15(22)17-11(14(21)18(4)5)8-10-6-7-12(19)13(20)9-10/h6-7,9,11,19-20H,8H2,1-5H3,(H,17,22)/t11-/m0/s1

Composition: C (59.24%), H (7.46%), N (8.64%), O (24.66%)

Molar Mass: 324.377

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 324.168521881
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey AIEXHSPEYFHEJN-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.57
Topological Polar Surface Area 99.1
Polarizability 33.12
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 752251-02-8 $227.70-$917.70$227.70$917.70
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