methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate

C9H12N2O3 — CID 10703029

IUPACmethyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H12N2O3/c1-11(6-8(12)14-2)9(13)7-4-3-5-10-7/h3-5,10H,6H2,1-2H3
InChIKeyWWDOWMVWBBKQDZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.26
Rot. Bonds3

About methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate

methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate (PubChem CID 10703029) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate
PubChem CID10703029
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H12N2O3/c1-11(6-8(12)14-2)9(13)7-4-3-5-10-7/h3-5,10H,6H2,1-2H3
InChIKeyWWDOWMVWBBKQDZ-UHFFFAOYSA-N
XLogP0.26
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate (CID 10703029) is methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1ccc[nH]1.
What is the InChIKey of methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate?
The InChIKey is WWDOWMVWBBKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(6-8(12)14-2)9(13)7-4-3-5-10-7/h3-5,10H,6H2,1-2H3.
What are the key properties of methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate?
methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate has a molecular weight of 196.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1H-pyrrole-2-carbonyl)amino]acetate is sourced from PubChem (CID 10703029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).