Home Carboxys 1-(1-carbamoylethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

1-(1-carbamoylethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

CAS No.:
1511964-16-1
Catalog Number:
AG01BFB0
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
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Product Description
Catalog Number:
AG01BFB0
Chemical Name:
1-(1-carbamoylethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CAS Number:
1511964-16-1
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD25631006
IUPAC Name:
1-(1-amino-1-oxopropan-2-yl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
InChI:
InChI=1S/C13H16N2O3/c1-8(12(14)16)15-7-6-10(13(17)18)9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3,(H2,14,16)(H,17,18)
InChI Key:
UGDNOIVWNYWFHE-UHFFFAOYSA-N
SMILES:
NC(=O)C(N1CCC(c2c1cccc2)C(=O)O)C
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties