Name: Name:1-Pyrrolidinecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-hydroxy-,1,1-dimethylethyl ester, (3S,4S)-
Brand: Angene
SKU: AG01DX8G
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-hydroxy-,1,1-dimethylethyl ester, (3S,4S)-

CAS No.:

429673-82-5

Catalog Number:

AG01DX8G

Molecular Formula:

C15H28N2O5

Molecular Weight:

316.3932

Catalog Number:

AG01DX8G

Chemical Name:

1-Pyrrolidinecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-hydroxy-,1,1-dimethylethyl ester, (3S,4S)-

CAS Number:

429673-82-5

Molecular Formula:

C15H28N2O5

Molecular Weight:

316.3932

MDL Number:

MFCD28401041

IUPAC Name:

tert-butyl (3S,4S)-3-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16(7)10-8-17(9-11(10)18)13(20)22-15(4,5)6/h10-11,18H,8-9H2,1-7H3/t10-,11-/m0/s1

InChI Key:

LIUXUDRASSWGLX-QWRGUYRKSA-N

SMILES:

O[C@H]1CN(C[C@@H]1N(C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.398g/mol

Monoisotopic Mass:

316.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2