ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate

C12H20N2O2 — CID 66414373

IUPACethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
SMILESCCCn1ccc(CNCC(=O)OCC)c1
InChIInChI=1S/C12H20N2O2/c1-3-6-14-7-5-11(10-14)8-13-9-12(15)16-4-2/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKeyQSORTJHVPLEITK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.55
Rot. Bonds7

About ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate

ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate (PubChem CID 66414373) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
PubChem CID66414373
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
SMILESCCCn1ccc(CNCC(=O)OCC)c1
InChIInChI=1S/C12H20N2O2/c1-3-6-14-7-5-11(10-14)8-13-9-12(15)16-4-2/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKeyQSORTJHVPLEITK-UHFFFAOYSA-N
XLogP1.55
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanoate
CID 66405802
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 66397768
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate (CID 66414373) is ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate is CCCn1ccc(CNCC(=O)OCC)c1.
What is the InChIKey of ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate?
The InChIKey is QSORTJHVPLEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-6-14-7-5-11(10-14)8-13-9-12(15)16-4-2/h5,7,10,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate?
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate has a molecular weight of 224.30 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate is sourced from PubChem (CID 66414373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).