(2S,4S)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

CAS: 1378388-16-9

Formula: C12H21NO5

SMILES: COC[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(O)=O

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(7-17-4)5-9(13)10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1

Composition: C (55.58%), H (8.16%), N (5.40%), O (30.85%)

Molar Mass: 259.302

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	259.14197278
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OHPUCEUCBHBIAW-IUCAKERBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.11
Topological Polar Surface Area	76.07
Polarizability	25.32
Ring Count	1
Rotatable Bond Count	5

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