methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate

C10H14N2O3 — CID 20642910

IUPACmethyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C10H14N2O3/c1-12(6-4-9(13)15-2)10(14)8-3-5-11-7-8/h3,5,7,11H,4,6H2,1-2H3
InChIKeyHTTPBNQEHUSECV-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds4

About methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate

methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate (PubChem CID 20642910) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate
PubChem CID20642910
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C10H14N2O3/c1-12(6-4-9(13)15-2)10(14)8-3-5-11-7-8/h3,5,7,11H,4,6H2,1-2H3
InChIKeyHTTPBNQEHUSECV-UHFFFAOYSA-N
XLogP0.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate (CID 20642910) is methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1cc[nH]c1.
What is the InChIKey of methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate?
The InChIKey is HTTPBNQEHUSECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(6-4-9(13)15-2)10(14)8-3-5-11-7-8/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate?
methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 20642910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).