2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid

C10H15NO3 — CID 82399008

IUPAC2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
SMILESO=C(O)CC1CC(=O)N2CCCCC12
InChIInChI=1S/C10H15NO3/c12-9-5-7(6-10(13)14)8-3-1-2-4-11(8)9/h7-8H,1-6H2,(H,13,14)
InChIKeyYOWHIPWMLCRRGY-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.86
Rot. Bonds2

About 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid

2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid (PubChem CID 82399008) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
PubChem CID82399008
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
SMILESO=C(O)CC1CC(=O)N2CCCCC12
InChIInChI=1S/C10H15NO3/c12-9-5-7(6-10(13)14)8-3-1-2-4-11(8)9/h7-8H,1-6H2,(H,13,14)
InChIKeyYOWHIPWMLCRRGY-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid (CID 82399008) is 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid is O=C(O)CC1CC(=O)N2CCCCC12.
What is the InChIKey of 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid?
The InChIKey is YOWHIPWMLCRRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-5-7(6-10(13)14)8-3-1-2-4-11(8)9/h7-8H,1-6H2,(H,13,14).
What are the key properties of 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid?
2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid has a molecular weight of 197.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid is sourced from PubChem (CID 82399008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).