methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate

C13H15NO5 — CID 171864842

IUPACmethyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H15NO5/c1-19-13(18)12(17)11(16)8-2-4-9-7(6-8)3-5-10(15)14-9/h2,4,6,11-12,16-17H,3,5H2,1H3,(H,14,15)
InChIKeyUCPIXXANDBPZAG-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.14
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate

methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate (PubChem CID 171864842) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
PubChem CID171864842
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H15NO5/c1-19-13(18)12(17)11(16)8-2-4-9-7(6-8)3-5-10(15)14-9/h2,4,6,11-12,16-17H,3,5H2,1H3,(H,14,15)
InChIKeyUCPIXXANDBPZAG-UHFFFAOYSA-N
XLogP0.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
S-[3,4-dihydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butyl] ethanethioate
CID 171876672
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate (CID 171864842) is methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate is COC(=O)C(O)C(O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
The InChIKey is UCPIXXANDBPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-19-13(18)12(17)11(16)8-2-4-9-7(6-8)3-5-10(15)14-9/h2,4,6,11-12,16-17H,3,5H2,1H3,(H,14,15).
What are the key properties of methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate?
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate has a molecular weight of 265.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate is sourced from PubChem (CID 171864842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).