ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate

C14H24N2O3 — CID 170885860

IUPACethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate
SMILESCCOC(=O)C(N)Cc1cc(C)n(CCOC)c1C
InChIInChI=1S/C14H24N2O3/c1-5-19-14(17)13(15)9-12-8-10(2)16(11(12)3)6-7-18-4/h8,13H,5-7,9,15H2,1-4H3
InChIKeyWRTUUZASCMGIMW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.18
Rot. Bonds7

About ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate

ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate (PubChem CID 170885860) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate
PubChem CID170885860
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate
SMILESCCOC(=O)C(N)Cc1cc(C)n(CCOC)c1C
InChIInChI=1S/C14H24N2O3/c1-5-19-14(17)13(15)9-12-8-10(2)16(11(12)3)6-7-18-4/h8,13H,5-7,9,15H2,1-4H3
InChIKeyWRTUUZASCMGIMW-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]propanoate
CID 170884541
2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 116791267
2-bromo-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]butan-1-one
CID 116791161
ethyl 2-amino-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]propanoate
CID 170884819
2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol
CID 16767754
methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate
CID 170884417
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate (CID 170885860) is ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate is CCOC(=O)C(N)Cc1cc(C)n(CCOC)c1C.
What is the InChIKey of ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate?
The InChIKey is WRTUUZASCMGIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-19-14(17)13(15)9-12-8-10(2)16(11(12)3)6-7-18-4/h8,13H,5-7,9,15H2,1-4H3.
What are the key properties of ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate?
ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate has a molecular weight of 268.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]propanoate is sourced from PubChem (CID 170885860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).