[1-[2-(methylamino)acetyl]indolizin-8-yl] acetate

C13H14N2O3 — CID 169203525

IUPAC[1-[2-(methylamino)acetyl]indolizin-8-yl] acetate
SMILESCNCC(=O)c1ccn2cccc(OC(C)=O)c12
InChIInChI=1S/C13H14N2O3/c1-9(16)18-12-4-3-6-15-7-5-10(13(12)15)11(17)8-14-2/h3-7,14H,8H2,1-2H3
InChIKeyZJJZRCJZRROPIB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds4

About [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate

[1-[2-(methylamino)acetyl]indolizin-8-yl] acetate (PubChem CID 169203525) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate.

Molecular Properties

Compound Name[1-[2-(methylamino)acetyl]indolizin-8-yl] acetate
PubChem CID169203525
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name[1-[2-(methylamino)acetyl]indolizin-8-yl] acetate
SMILESCNCC(=O)c1ccn2cccc(OC(C)=O)c12
InChIInChI=1S/C13H14N2O3/c1-9(16)18-12-4-3-6-15-7-5-10(13(12)15)11(17)8-14-2/h3-7,14H,8H2,1-2H3
InChIKeyZJJZRCJZRROPIB-UHFFFAOYSA-N
XLogP1.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(8-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
CID 176624551
8-methoxyindolizine-1-carboxylic acid
CID 169203127
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
N-[2-methoxy-6-[2-(methylamino)acetyl]phenyl]acetamide
CID 105497642
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
[2-(2-hydroxyacetyl)phenyl] acetate
CID 101117820
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
[2-(2-aminoacetyl)phenyl] acetate
CID 129189924
2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
CID 169203495
[2-(methoxycarbamoyl)phenyl] acetate
CID 59130426
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl] acetate
CID 91810847

Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate?
The IUPAC name of [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate (CID 169203525) is [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate.
What is the SMILES notation for [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate?
The canonical SMILES for [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate is CNCC(=O)c1ccn2cccc(OC(C)=O)c12.
What is the InChIKey of [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate?
The InChIKey is ZJJZRCJZRROPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)18-12-4-3-6-15-7-5-10(13(12)15)11(17)8-14-2/h3-7,14H,8H2,1-2H3.
What are the key properties of [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate?
[1-[2-(methylamino)acetyl]indolizin-8-yl] acetate has a molecular weight of 246.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylamino)acetyl]indolizin-8-yl] acetate is sourced from PubChem (CID 169203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).