ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate

C10H16N2O2 — CID 115257431

IUPACethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-14-10(13)8-12(2)7-9-5-4-6-11-9/h4-6,11H,3,7-8H2,1-2H3
InChIKeyYOPCRFRQIYZRIR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate

ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate (PubChem CID 115257431) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
PubChem CID115257431
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-14-10(13)8-12(2)7-9-5-4-6-11-9/h4-6,11H,3,7-8H2,1-2H3
InChIKeyYOPCRFRQIYZRIR-UHFFFAOYSA-N
XLogP1.01
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115257497
ethyl 2-[(10-formylanthracen-9-yl)methyl-methylamino]acetate
CID 102393953
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
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CID 115187934
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
ethyl 2-[(2,3-diamino-6-ethylphenyl)methyl-methylamino]acetate
CID 10801656
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate (CID 115257431) is ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate is CCOC(=O)CN(C)Cc1ccc[nH]1.
What is the InChIKey of ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate?
The InChIKey is YOPCRFRQIYZRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-14-10(13)8-12(2)7-9-5-4-6-11-9/h4-6,11H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate?
ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate has a molecular weight of 196.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate is sourced from PubChem (CID 115257431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).