Name: Name:3-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}prop-2-ynoic acid
Brand: Angene
SKU: AG01BTSE
Rating: 90 (10 reviews)

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

CAS No.:

1823864-13-6

Catalog Number:

AG01BTSE

Molecular Formula:

C12H17NO4

Molecular Weight:

239.2677

Catalog Number:

AG01BTSE

Chemical Name:

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

CAS Number:

1823864-13-6

Molecular Formula:

C12H17NO4

Molecular Weight:

239.2677

MDL Number:

MFCD27998149

IUPAC Name:

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

InChI:

InChI=1S/C12H17NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h9H,4-5,8H2,1-3H3,(H,14,15)

InChI Key:

WQDZHZALQWGGPL-UHFFFAOYSA-N

SMILES:

O=C(N1CCCC1C#CC(=O)O)OC(C)(C)C

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.271g/mol

Monoisotopic Mass:

239.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6