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

C10H12N2O3 — CID 59038146

IUPAC(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1ccc2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-11-7-4-2-6-3-5-8(10(14)15)12(6)9(7)13/h2,4,8,11H,3,5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyVLADDVZEJBGFTA-QMMMGPOBSA-N
MW208.22 g/mol
LogP0.46
Rot. Bonds2

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

(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 59038146) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID59038146
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCNc1ccc2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C10H12N2O3/c1-11-7-4-2-6-3-5-8(10(14)15)12(6)9(7)13/h2,4,8,11H,3,5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyVLADDVZEJBGFTA-QMMMGPOBSA-N
XLogP0.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dioxo-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 23104848
6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 23559871
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54269835
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54419282
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54431635
(S)-5-Oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 57907462
(2S)-1-[(2S)-2-[(2,5-dimethylbenzene-4-ide-1-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;yttrium
CID 59696824
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
8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975149

Frequently Asked Questions

What is the IUPAC name of (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 59038146) is (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is CNc1ccc2n(c1=O)[C@H](C(=O)O)CC2.
What is the InChIKey of (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is VLADDVZEJBGFTA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-7-4-2-6-3-5-8(10(14)15)12(6)9(7)13/h2,4,8,11H,3,5H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 59038146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).