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

C10H11NO3 — CID 66939798

IUPAC(3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCC1C[C@@H](C(=O)O)n2c1cccc2=O
InChIInChI=1S/C10H11NO3/c1-6-5-8(10(13)14)11-7(6)3-2-4-9(11)12/h2-4,6,8H,5H2,1H3,(H,13,14)/t6?,8-/m0/s1
InChIKeyBRGGHOGLHXFLJZ-XDKWHASVSA-N
MW193.20 g/mol
LogP0.98
Rot. Bonds1

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

(3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 66939798) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID66939798
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESCC1C[C@@H](C(=O)O)n2c1cccc2=O
InChIInChI=1S/C10H11NO3/c1-6-5-8(10(13)14)11-7(6)3-2-4-9(11)12/h2-4,6,8H,5H2,1H3,(H,13,14)/t6?,8-/m0/s1
InChIKeyBRGGHOGLHXFLJZ-XDKWHASVSA-N
XLogP0.98
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 66939798) is (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is CC1C[C@@H](C(=O)O)n2c1cccc2=O.
What is the InChIKey of (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is BRGGHOGLHXFLJZ-XDKWHASVSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-5-8(10(13)14)11-7(6)3-2-4-9(11)12/h2-4,6,8H,5H2,1H3,(H,13,14)/t6?,8-/m0/s1.
What are the key properties of (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
(3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 66939798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).