2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid

C12H18N2O4 — CID 79331225

IUPAC2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESCCOCC(C)NC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-18-8-9(2)13-12(17)10-5-4-6-14(10)7-11(15)16/h4-6,9H,3,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJRHFPHPYFZELQF-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.73
Rot. Bonds7

About 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid

2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid (PubChem CID 79331225) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid
PubChem CID79331225
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESCCOCC(C)NC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-18-8-9(2)13-12(17)10-5-4-6-14(10)7-11(15)16/h4-6,9H,3,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJRHFPHPYFZELQF-UHFFFAOYSA-N
XLogP0.73
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid (CID 79331225) is 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid is CCOCC(C)NC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid?
The InChIKey is JRHFPHPYFZELQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-18-8-9(2)13-12(17)10-5-4-6-14(10)7-11(15)16/h4-6,9H,3,7-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid?
2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).