3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid

C14H17NO6 — CID 11000919

IUPAC3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid
SMILESCOC(=O)C1CCCc2c(O)cc(CCC(=O)O)c(=O)n21
InChIInChI=1S/C14H17NO6/c1-21-14(20)10-4-2-3-9-11(16)7-8(5-6-12(17)18)13(19)15(9)10/h7,10,16H,2-6H2,1H3,(H,17,18)
InChIKeyPWPIZXXRENFBFB-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.62
Rot. Bonds4

About 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid

3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid (PubChem CID 11000919) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid
PubChem CID11000919
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid
SMILESCOC(=O)C1CCCc2c(O)cc(CCC(=O)O)c(=O)n21
InChIInChI=1S/C14H17NO6/c1-21-14(20)10-4-2-3-9-11(16)7-8(5-6-12(17)18)13(19)15(9)10/h7,10,16H,2-6H2,1H3,(H,17,18)
InChIKeyPWPIZXXRENFBFB-UHFFFAOYSA-N
XLogP0.62
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-8-acetyl-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 11001773
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
5-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247863
methyl (2S)-1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 102351523
methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247821
5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247945
methyl 3-oxo-6,7,8,8a-tetrahydro-5H-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 178188742
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522847
methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247825
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid?
The IUPAC name of 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid (CID 11000919) is 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid is COC(=O)C1CCCc2c(O)cc(CCC(=O)O)c(=O)n21.
What is the InChIKey of 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid?
The InChIKey is PWPIZXXRENFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-21-14(20)10-4-2-3-9-11(16)7-8(5-6-12(17)18)13(19)15(9)10/h7,10,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid?
3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid is sourced from PubChem (CID 11000919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).