methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate

C17H22N2O2 — CID 62474419

IUPACmethyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
SMILESCOC(=O)C(NCc1cc(C)n(C)c1C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-12-10-15(13(2)19(12)3)11-18-16(17(20)21-4)14-8-6-5-7-9-14/h5-10,16,18H,11H2,1-4H3
InChIKeyFTQPCMIDWFOCIE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

About methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate

methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate (PubChem CID 62474419) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
PubChem CID62474419
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
SMILESCOC(=O)C(NCc1cc(C)n(C)c1C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-12-10-15(13(2)19(12)3)11-18-16(17(20)21-4)14-8-6-5-7-9-14/h5-10,16,18H,11H2,1-4H3
InChIKeyFTQPCMIDWFOCIE-UHFFFAOYSA-N
XLogP2.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
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methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
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methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
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methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
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methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62109634
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
CID 66415576
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate (CID 62474419) is methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate is COC(=O)C(NCc1cc(C)n(C)c1C)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate?
The InChIKey is FTQPCMIDWFOCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-10-15(13(2)19(12)3)11-18-16(17(20)21-4)14-8-6-5-7-9-14/h5-10,16,18H,11H2,1-4H3.
What are the key properties of methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate?
methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate has a molecular weight of 286.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate is sourced from PubChem (CID 62474419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).