methyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoate

methyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoate

CAS: 100157-53-7

Formula: C13H17NO5

SMILES: COC(=O)[C@H](NC(=O)OCC1=CC=CC=C1)[C@@H](C)O

IUPAC: methyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoate

InChI: InChI=1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11-/m1/s1

Composition: C (58.42%), H (6.41%), N (5.24%), O (29.93%)

Molar Mass: 267.281

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	267.110672651
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OPZWAOJFQFYYIX-MWLCHTKSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.91
Topological Polar Surface Area	84.86
Polarizability	26.57
Ring Count	1
Rotatable Bond Count	7

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