methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate

C11H14N2O4 — CID 43409093

IUPACmethyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C(C)=O)cn1C
InChIInChI=1S/C11H14N2O4/c1-7(14)8-4-9(13(2)6-8)11(16)12-5-10(15)17-3/h4,6H,5H2,1-3H3,(H,12,16)
InChIKeyPWCKXQZIPVCVCM-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.13
Rot. Bonds4

About methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate

methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate (PubChem CID 43409093) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
PubChem CID43409093
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C(C)=O)cn1C
InChIInChI=1S/C11H14N2O4/c1-7(14)8-4-9(13(2)6-8)11(16)12-5-10(15)17-3/h4,6H,5H2,1-3H3,(H,12,16)
InChIKeyPWCKXQZIPVCVCM-UHFFFAOYSA-N
XLogP0.13
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate (CID 43409093) is methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(C(C)=O)cn1C.
What is the InChIKey of methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate?
The InChIKey is PWCKXQZIPVCVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(14)8-4-9(13(2)6-8)11(16)12-5-10(15)17-3/h4,6H,5H2,1-3H3,(H,12,16).
What are the key properties of methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate?
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate has a molecular weight of 238.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate is sourced from PubChem (CID 43409093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).