Name: Name:4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
Brand: Angene
SKU: AG001YRN
Rating: 90 (10 reviews)

4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester

CAS No.:

173306-82-6

Catalog Number:

AG001YRN

Molecular Formula:

C11H17NO4

Molecular Weight:

227.2570

Catalog Number:

AG001YRN

Chemical Name:

4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester

CAS Number:

173306-82-6

Molecular Formula:

C11H17NO4

Molecular Weight:

227.2570

MDL Number:

MFCD06656753

IUPAC Name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate

InChI:

InChI=1S/C11H17NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h1,8H,7H2,2-5H3,(H,12,14)

InChI Key:

QPMUXIIQQHTMKO-UHFFFAOYSA-N

SMILES:

C#CCC(C(=O)OC)NC(=O)OC(C)(C)C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.26g/mol

Monoisotopic Mass:

227.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5