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(R)-[(tert-butoxycarbonyl)amino](3-methoxyphenyl)acetic acid

(R)-[(tert-butoxycarbonyl)amino](3-methoxyphenyl)acetic acid

CAS: 1228565-95-4

Formula: C14H19NO5

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-methoxyphenyl)acetic acid

InChI: InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-6-5-7-10(8-9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)/t11-/m1/s1

Composition: C (59.78%), H (6.81%), N (4.98%), O (28.44%)

Molar Mass: 281.308

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.126322716
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZPMHSWFMWHVVHG-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.7
Topological Polar Surface Area 84.86
Polarizability 28.21
Ring Count 1
Rotatable Bond Count 6

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