methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C11H14N2O4 — CID 59975114

IUPACmethyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1cc(O)c2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H14N2O4/c1-12-6-5-9(14)7-3-4-8(11(16)17-2)13(7)10(6)15/h5,8,12,14H,3-4H2,1-2H3
InChIKeyNDXOUJQWVYSYQB-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.26
Rot. Bonds2

About methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975114) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975114
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCNc1cc(O)c2n(c1=O)C(C(=O)OC)CC2
InChIInChI=1S/C11H14N2O4/c1-12-6-5-9(14)7-3-4-8(11(16)17-2)13(7)10(6)15/h5,8,12,14H,3-4H2,1-2H3
InChIKeyNDXOUJQWVYSYQB-UHFFFAOYSA-N
XLogP0.26
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

fluoro 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 155238332
methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 11000918
6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 23559871
(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59038146
methyl 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975100
8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975110
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975131
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975141
8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975149
(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 68812487
6-[2-(methylamino)propanoylamino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 68812488
7-Hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 89650887

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975114) is methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1cc(O)c2n(c1=O)C(C(=O)OC)CC2.
What is the InChIKey of methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is NDXOUJQWVYSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-6-5-9(14)7-3-4-8(11(16)17-2)13(7)10(6)15/h5,8,12,14H,3-4H2,1-2H3.
What are the key properties of methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).