Name: Name:3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}prop-2-ynoic acid
Brand: Angene
SKU: AG01B540
Rating: 90 (10 reviews)

3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}prop-2-ynoic acid

CAS No.:

1823259-06-8

Catalog Number:

AG01B540

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

Catalog Number:

AG01B540

Chemical Name:

3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}prop-2-ynoic acid

CAS Number:

1823259-06-8

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

MDL Number:

MFCD27998150

IUPAC Name:

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]prop-2-ynoic acid

InChI:

InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-8-4-5-10(9-14)6-7-11(15)16/h10H,4-5,8-9H2,1-3H3,(H,15,16)

InChI Key:

IAUQBQSYFPWKDG-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC(C1)C#CC(=O)O)OC(C)(C)C

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.298g/mol

Monoisotopic Mass:

253.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8