methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

CAS: 13135-69-8

Formula: C7H13NO3

SMILES: COC(=O)[C@@H]1C[C@@H](O)CN1C

IUPAC: methyl (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

InChI: InChI=1S/C7H13NO3/c1-8-4-5(9)3-6(8)7(10)11-2/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

Composition: C (52.82%), H (8.23%), N (8.80%), O (30.15%)

Molar Mass: 159.185

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	159.089543283
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RJOHENGSJXRMSW-RITPCOANSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.45
Topological Polar Surface Area	49.77
Polarizability	15.86
Ring Count	1
Rotatable Bond Count	2

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