(2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-2-carboxylic acid

(2S,4R)-4-[(tert-butoxycarbonyl)amino]pyrrolidine-2-carboxylic acid

CAS: 1279034-98-8

Formula: C10H18N2O4

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

IUPAC: (2S,4R)-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6/h6-7,11H,4-5H2,1-3H3,(H,12,15)(H,13,14)/t6-,7+/m1/s1

Composition: C (52.16%), H (7.88%), N (12.17%), O (27.79%)

Molar Mass: 230.264

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	230.126657068
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	ZLTYSXLMVYGBJO-RQJHMYQMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.91
Topological Polar Surface Area	87.66
Polarizability	22.46
Ring Count	1
Rotatable Bond Count	4

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