2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid

C9H13NO4 — CID 139587398

IUPAC2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid
SMILESCOCc1ccc(CO)n1CC(=O)O
InChIInChI=1S/C9H13NO4/c1-14-6-8-3-2-7(5-11)10(8)4-9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyORQNDWHICGCUSP-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid

2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid (PubChem CID 139587398) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid
PubChem CID139587398
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid
SMILESCOCc1ccc(CO)n1CC(=O)O
InChIInChI=1S/C9H13NO4/c1-14-6-8-3-2-7(5-11)10(8)4-9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyORQNDWHICGCUSP-UHFFFAOYSA-N
XLogP0.21
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(hydroxymethyl)-5-(methoxymethyl)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-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid (CID 139587398) is 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid is COCc1ccc(CO)n1CC(=O)O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid?
The InChIKey is ORQNDWHICGCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-14-6-8-3-2-7(5-11)10(8)4-9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid?
2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 139587398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).