(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,4-dimethylphenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,4-dimethylphenoxy)pyrrolidine-2-carboxylic acid

CAS: 1354486-23-9

Formula: C18H25NO5

SMILES: CC1=C(C)C=C(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(O)=O)C=C1

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(3,4-dimethylphenoxy)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C18H25NO5/c1-11-6-7-13(8-12(11)2)23-14-9-15(16(20)21)19(10-14)17(22)24-18(3,4)5/h6-8,14-15H,9-10H2,1-5H3,(H,20,21)/t14-,15-/m0/s1

Composition: C (64.46%), H (7.51%), N (4.18%), O (23.85%)

Molar Mass: 335.4

Atom Count: 49

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	335.173272909
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AGTFPYNQDZAZRA-GJZGRUSLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.72
Topological Polar Surface Area	76.07
Polarizability	34.67
Ring Count	2
Rotatable Bond Count	5

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