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

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

CAS: 83623-93-2

Formula: C11H19NO5

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

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

InChI: InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1

Composition: C (53.87%), H (7.81%), N (5.71%), O (32.61%)

Molar Mass: 245.275

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	245.126322716
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	COHIMMPWCAHSFN-YUMQZZPRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.13
Topological Polar Surface Area	76.07
Polarizability	23.5
Ring Count	1
Rotatable Bond Count	4

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