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79721-05-4 | L-Alanine,N-[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]-
CAS No: 79721-05-4 Catalog No: AG0056CF MDL No:
Product Description
Catalog Number:
AG0056CF
Chemical Name:
L-Alanine,N-[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]-
CAS Number:
79721-05-4
Molecular Formula:
C16H16N2O6
Molecular Weight:
332.3080
IUPAC Name:
(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
InChI:
InChI=1S/C16H16N2O6/c1-3-18-6-10(15(20)17-8(2)16(21)22)14(19)9-4-12-13(5-11(9)18)24-7-23-12/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,21,22)/t8-/m0/s1
InChI Key:
QVLZAVLZSWYWGD-QMMMGPOBSA-N
SMILES:
CCn1cc(C(=O)NC(C(=O)O)C)c(=O)c2c1cc1OCOc1c2
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
332.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.312g/mol
Monoisotopic Mass:
332.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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