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

C13H22N2O2 — CID 62474581

IUPACmethyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1cc(C)n(C)c1C
InChIInChI=1S/C13H22N2O2/c1-9-7-11(10(2)15(9)5)8-14-13(3,4)12(16)17-6/h7,14H,8H2,1-6H3
InChIKeyRHPSBCGHTRAXAW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.68
Rot. Bonds4

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

methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate (PubChem CID 62474581) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate
PubChem CID62474581
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namemethyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1cc(C)n(C)c1C
InChIInChI=1S/C13H22N2O2/c1-9-7-11(10(2)15(9)5)8-14-13(3,4)12(16)17-6/h7,14H,8H2,1-6H3
InChIKeyRHPSBCGHTRAXAW-UHFFFAOYSA-N
XLogP1.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[(1,2,5-trimethylpyrrol-3-yl)methyl]urea
CID 110775522
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 82711962
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
2,4,6-trimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474954
methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoate
CID 43725940
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
CID 79605008
methyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 43726101
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol
CID 65108522

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate (CID 62474581) is methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate is COC(=O)C(C)(C)NCc1cc(C)n(C)c1C.
What is the InChIKey of methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate?
The InChIKey is RHPSBCGHTRAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-7-11(10(2)15(9)5)8-14-13(3,4)12(16)17-6/h7,14H,8H2,1-6H3.
What are the key properties of methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate?
methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate has a molecular weight of 238.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate is sourced from PubChem (CID 62474581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).