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

C10H12N2O4 — CID 59975149

IUPAC8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1cc(O)c2n(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C10H12N2O4/c1-11-5-4-8(13)6-2-3-7(10(15)16)12(6)9(5)14/h4,7,11,13H,2-3H2,1H3,(H,15,16)
InChIKeyYSKZJDGHLJZPOW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.17
Rot. Bonds2

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

8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 59975149) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID59975149
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1cc(O)c2n(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C10H12N2O4/c1-11-5-4-8(13)6-2-3-7(10(15)16)12(6)9(5)14/h4,7,11,13H,2-3H2,1H3,(H,15,16)
InChIKeyYSKZJDGHLJZPOW-UHFFFAOYSA-N
XLogP0.17
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

A 58365A
CID 137365
(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 11119038
fluoro 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 155238332
(3R)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 101945059
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
8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975110
methyl 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975114
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
(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

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 59975149) is 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is CNc1cc(O)c2n(c1=O)C(C(=O)O)CC2.
What is the InChIKey of 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is YSKZJDGHLJZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11-5-4-8(13)6-2-3-7(10(15)16)12(6)9(5)14/h4,7,11,13H,2-3H2,1H3,(H,15,16).
What are the key properties of 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 59975149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).