Name: Name:methyl 4-oxo-4-((thiophen-2-ylmethyl)amino)butanoate
Brand: Angene
SKU: AG01DUFS
Rating: 90 (10 reviews)

methyl 4-oxo-4-((thiophen-2-ylmethyl)amino)butanoate

CAS No.:

1798214-56-8

Catalog Number:

AG01DUFS

Molecular Formula:

C10H13NO3S

Molecular Weight:

227.2801

Catalog Number:

AG01DUFS

Chemical Name:

methyl 4-oxo-4-((thiophen-2-ylmethyl)amino)butanoate

CAS Number:

1798214-56-8

Molecular Formula:

C10H13NO3S

Molecular Weight:

227.2801

MDL Number:

MFCD30185844

IUPAC Name:

methyl 4-oxo-4-(thiophen-2-ylmethylamino)butanoate

InChI:

InChI=1S/C10H13NO3S/c1-14-10(13)5-4-9(12)11-7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,11,12)

InChI Key:

HTZYKENYBLIHMQ-UHFFFAOYSA-N

SMILES:

COC(=O)CCC(=O)NCc1cccs1

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.278g/mol

Monoisotopic Mass:

227.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5