Name: Name:2-Butenoic acid, 4-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-1-piperazinyl]-
Brand: Angene
SKU: AG00IM6C
Rating: 90 (10 reviews)

2-Butenoic acid, 4-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-1-piperazinyl]-

CAS No.:

1022150-13-5

Catalog Number:

AG00IM6C

Molecular Formula:

C15H27N3O4

Molecular Weight:

313.3926

Catalog Number:

AG00IM6C

Chemical Name:

2-Butenoic acid, 4-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-1-piperazinyl]-

CAS Number:

1022150-13-5

Molecular Formula:

C15H27N3O4

Molecular Weight:

313.3926

MDL Number:

MFCD31630879

IUPAC Name:

4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]but-2-enoic acid

InChI:

InChI=1S/C15H27N3O4/c1-15(2,3)22-14(21)16-6-8-18-11-9-17(10-12-18)7-4-5-13(19)20/h4-5H,6-12H2,1-3H3,(H,16,21)(H,19,20)

InChI Key:

XQTIHILHJPULOA-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NCCN1CCN(CC1)C/C=C/C(=O)O

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.398g/mol

Monoisotopic Mass:

313.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7