methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate

C16H20N2O2 — CID 66415576

IUPACmethyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
SMILESCCn1ccc(CNC(C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-3-18-10-9-13(12-18)11-17-15(16(19)20-2)14-7-5-4-6-8-14/h4-10,12,15,17H,3,11H2,1-2H3
InChIKeyFYGREEXSRVBKCX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.51
Rot. Bonds6

About methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate

methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate (PubChem CID 66415576) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
PubChem CID66415576
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
SMILESCCn1ccc(CNC(C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-3-18-10-9-13(12-18)11-17-15(16(19)20-2)14-7-5-4-6-8-14/h4-10,12,15,17H,3,11H2,1-2H3
InChIKeyFYGREEXSRVBKCX-UHFFFAOYSA-N
XLogP2.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
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methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-3-methylbutanoate
CID 66398421
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate (CID 66415576) is methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate is CCn1ccc(CNC(C(=O)OC)c2ccccc2)c1.
What is the InChIKey of methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate?
The InChIKey is FYGREEXSRVBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18-10-9-13(12-18)11-17-15(16(19)20-2)14-7-5-4-6-8-14/h4-10,12,15,17H,3,11H2,1-2H3.
What are the key properties of methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate?
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate has a molecular weight of 272.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate is sourced from PubChem (CID 66415576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).