methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate

C8H12N2O3 — CID 143316032

IUPACmethyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate
SMILESCOC(=O)CNC1=CC(=O)NC1C
InChIInChI=1S/C8H12N2O3/c1-5-6(3-7(11)10-5)9-4-8(12)13-2/h3,5,9H,4H2,1-2H3,(H,10,11)
InChIKeyNCVPOWRTEGNVSE-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.85
Rot. Bonds3

About methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate

methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate (PubChem CID 143316032) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate
PubChem CID143316032
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate
SMILESCOC(=O)CNC1=CC(=O)NC1C
InChIInChI=1S/C8H12N2O3/c1-5-6(3-7(11)10-5)9-4-8(12)13-2/h3,5,9H,4H2,1-2H3,(H,10,11)
InChIKeyNCVPOWRTEGNVSE-UHFFFAOYSA-N
XLogP-0.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate (CID 143316032) is methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate is COC(=O)CNC1=CC(=O)NC1C.
What is the InChIKey of methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate?
The InChIKey is NCVPOWRTEGNVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(3-7(11)10-5)9-4-8(12)13-2/h3,5,9H,4H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate?
methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate has a molecular weight of 184.19 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-5-oxo-1,2-dihydropyrrol-3-yl)amino]acetate is sourced from PubChem (CID 143316032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).