5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid

C13H20N2O3 — CID 114273627

IUPAC5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(CNC2(C)CCOC2C)cc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-8-11(12(16)17)6-10(15-8)7-14-13(3)4-5-18-9(13)2/h6,9,14-15H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyKVVPZIOHQHICDC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.68
Rot. Bonds4

About 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid

5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 114273627) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID114273627
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(CNC2(C)CCOC2C)cc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-8-11(12(16)17)6-10(15-8)7-14-13(3)4-5-18-9(13)2/h6,9,14-15H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyKVVPZIOHQHICDC-UHFFFAOYSA-N
XLogP1.68
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic 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 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 114273627) is 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(CNC2(C)CCOC2C)cc1C(=O)O.
What is the InChIKey of 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is KVVPZIOHQHICDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-11(12(16)17)6-10(15-8)7-14-13(3)4-5-18-9(13)2/h6,9,14-15H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,3-dimethyloxolan-3-yl)amino]methyl]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 114273627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).