Name: Name:N-(1H-indol-2-ylcarbonyl)-beta-alanine
Brand: Angene
SKU: AG00JD5U
Rating: 90 (10 reviews)

N-(1H-indol-2-ylcarbonyl)-beta-alanine

CAS No.:

68724-79-8

Catalog Number:

AG00JD5U

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

Catalog Number:

AG00JD5U

Chemical Name:

N-(1H-indol-2-ylcarbonyl)-beta-alanine

CAS Number:

68724-79-8

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

MDL Number:

MFCD11131662

IUPAC Name:

3-(1H-indole-2-carbonylamino)propanoic acid

InChI:

InChI=1S/C12H12N2O3/c15-11(16)5-6-13-12(17)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,5-6H2,(H,13,17)(H,15,16)

InChI Key:

PTQHKWPEDMLEOW-UHFFFAOYSA-N

SMILES:

OC(=O)CCNC(=O)c1cc2c([nH]1)cccc2

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.239g/mol

Monoisotopic Mass:

232.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6