(2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid

(2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid

CAS: 19728-63-3

Formula: C12H15NO5

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

IUPAC: (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoic acid

InChI: InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1

Composition: C (56.91%), H (5.97%), N (5.53%), O (31.59%)

Molar Mass: 253.254

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	253.095022587
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	IPJUIRDNBFZGQN-SCZZXKLOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.14
Topological Polar Surface Area	95.86
Polarizability	24.5
Ring Count	1
Rotatable Bond Count	6

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