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(2R)-2-[(tert-butoxycarbonyl)amino]-4-(4-methoxyphenyl)butanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-4-(4-methoxyphenyl)butanoic acid

CAS: 1260589-40-9

Formula: C16H23NO5

SMILES: COC1=CC=C(CC[C@@H](NC(=O)OC(C)(C)C)C(O)=O)C=C1

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-(4-methoxyphenyl)butanoic acid

InChI: InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-13(14(18)19)10-7-11-5-8-12(21-4)9-6-11/h5-6,8-9,13H,7,10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1

Composition: C (62.12%), H (7.49%), N (4.53%), O (25.86%)

Molar Mass: 309.362

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 309.157622845
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UKWBPYBMEMCURC-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.05
Topological Polar Surface Area 84.86
Polarizability 31.87
Ring Count 1
Rotatable Bond Count 8

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260589-40-9 $240.96-$551.04$240.96$361.92$551.04
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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260589-40-9 $344.64-$775.68$344.64$517.44$775.68
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