6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C13H18N2O3 — CID 59975158

IUPAC6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCc1c(C)c2n(c(=O)c1N(C)C)C(C(=O)O)CC2
InChIInChI=1S/C13H18N2O3/c1-7-8(2)11(14(3)4)12(16)15-9(7)5-6-10(15)13(17)18/h10H,5-6H2,1-4H3,(H,17,18)
InChIKeyPMKUGIPCQNOSFL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds2

About 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 59975158) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID59975158
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCc1c(C)c2n(c(=O)c1N(C)C)C(C(=O)O)CC2
InChIInChI=1S/C13H18N2O3/c1-7-8(2)11(14(3)4)12(16)15-9(7)5-6-10(15)13(17)18/h10H,5-6H2,1-4H3,(H,17,18)
InChIKeyPMKUGIPCQNOSFL-UHFFFAOYSA-N
XLogP1.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid with MolForge

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Related Compounds

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
6-(dimethylamino)-3-(hydroxymethyl)-7,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 59975142
(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
(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 69473526
1-[(2E)-3,7-dimethylocta-2,6-dienoyl]pyrrolidine-2-carboxylic acid
CID 89834055
1-[(E)-3-methylhex-2-enoyl]pyrrolidine-2-carboxylic acid
CID 89976457
7-[(3E)-3-aminohexa-1,3,5-trien-2-yl]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 118686841
1-(3,7-Dimethylocta-2,6-dienoyl)pyrrolidine-2-carboxylic acid
CID 123806004
(4Z,5E)-4,5-di(ethylidene)-1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid;ethane
CID 142034250

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 59975158) is 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is Cc1c(C)c2n(c(=O)c1N(C)C)C(C(=O)O)CC2.
What is the InChIKey of 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is PMKUGIPCQNOSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-7-8(2)11(14(3)4)12(16)15-9(7)5-6-10(15)13(17)18/h10H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-7,8-dimethyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 59975158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).