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

C10H16N2O3 — CID 130486929

IUPAC2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
SMILESO=C(O)CNC1CC(=O)N2CCCCC12
InChIInChI=1S/C10H16N2O3/c13-9-5-7(11-6-10(14)15)8-3-1-2-4-12(8)9/h7-8,11H,1-6H2,(H,14,15)
InChIKeyWENPSZPXVXZGGA-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds3

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

2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid (PubChem CID 130486929) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
PubChem CID130486929
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
SMILESO=C(O)CNC1CC(=O)N2CCCCC12
InChIInChI=1S/C10H16N2O3/c13-9-5-7(11-6-10(14)15)8-3-1-2-4-12(8)9/h7-8,11H,1-6H2,(H,14,15)
InChIKeyWENPSZPXVXZGGA-UHFFFAOYSA-N
XLogP-0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid with MolForge

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Related Compounds

2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
CID 130490582
1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 130486876
2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
CID 82399008
1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223375
(1S,8aS)-1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10888327
tert-butyl N-[3-[[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]methyl]pentan-3-yl]carbamate
CID 114223470
1-hydrazinyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130490616
1-[(5-methylthiophen-2-yl)methylamino]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223364
1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238821
1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238903
[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid
CID 138598293
1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid
CID 114239193

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid?
The IUPAC name of 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid (CID 130486929) is 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid is O=C(O)CNC1CC(=O)N2CCCCC12.
What is the InChIKey of 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid?
The InChIKey is WENPSZPXVXZGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-5-7(11-6-10(14)15)8-3-1-2-4-12(8)9/h7-8,11H,1-6H2,(H,14,15).
What are the key properties of 2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid?
2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 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)amino]acetic acid is sourced from PubChem (CID 130486929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).