2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid

C13H12N2O3 — CID 145226804

IUPAC2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid
SMILESO=C(O)Cc1c2n(c3ncccc13)CC(=O)CC2
InChIInChI=1S/C13H12N2O3/c16-8-3-4-11-10(6-12(17)18)9-2-1-5-14-13(9)15(11)7-8/h1-2,5H,3-4,6-7H2,(H,17,18)
InChIKeyIPTMAUDONMNIQE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.18
Rot. Bonds2

About 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid

2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid (PubChem CID 145226804) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid
PubChem CID145226804
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid
SMILESO=C(O)Cc1c2n(c3ncccc13)CC(=O)CC2
InChIInChI=1S/C13H12N2O3/c16-8-3-4-11-10(6-12(17)18)9-2-1-5-14-13(9)15(11)7-8/h1-2,5H,3-4,6-7H2,(H,17,18)
InChIKeyIPTMAUDONMNIQE-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8R)-8-[[1-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl]acetic acid
CID 53317854
2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 84681720
2-[1-[(4-aminophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11673768
2-(3-ethylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 143383912
N-methyl-N-[(8R)-5-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-8-yl]-2,2-diphenylacetamide
CID 88928314
2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11507937
2-[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11674088
2-[2-methyl-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 67219856
2-[2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11566711
2-[2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 16749864
2-[2-methyl-1-[(3-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 67219287
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid?
The IUPAC name of 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid (CID 145226804) is 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid.
What is the SMILES notation for 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid?
The canonical SMILES for 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid is O=C(O)Cc1c2n(c3ncccc13)CC(=O)CC2.
What is the InChIKey of 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid?
The InChIKey is IPTMAUDONMNIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-8-3-4-11-10(6-12(17)18)9-2-1-5-14-13(9)15(11)7-8/h1-2,5H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid?
2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxo-7,9-dihydro-6H-pyrido[3,2-b]indolizin-5-yl)acetic acid is sourced from PubChem (CID 145226804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).