(3S)-3-[(tert-butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acid

CAS: 499995-77-6

Formula: C15H21NO5

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

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid

InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	295.14197278
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DNXONWHJJNOKEU-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.32
Topological Polar Surface Area	84.86
Polarizability	30.04
Ring Count	1
Rotatable Bond Count	7

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