Name: Name:1-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid
Brand: Angene
SKU: AG01B60Z
Rating: 90 (10 reviews)

1-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid

CAS No.:

955964-45-1

Catalog Number:

AG01B60Z

Molecular Formula:

C16H26N2O5

Molecular Weight:

326.3880

Catalog Number:

AG01B60Z

Chemical Name:

1-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid

CAS Number:

955964-45-1

Molecular Formula:

C16H26N2O5

Molecular Weight:

326.3880

MDL Number:

MFCD04025840

IUPAC Name:

1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid

InChI:

InChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-8-4-5-12(18)13(19)17-9-6-11(7-10-17)14(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)/t12-/m0/s1

InChI Key:

RDAQBVAZAMAEFV-LBPRGKRZSA-N

SMILES:

OC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

Complexity:

477

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.393g/mol

Monoisotopic Mass:

326.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2