2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid

C12H18N2O2 — CID 82473039

IUPAC2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid
SMILESCn1ccc(C(C(=O)O)N2CCCCC2)c1
InChIInChI=1S/C12H18N2O2/c1-13-8-5-10(9-13)11(12(15)16)14-6-3-2-4-7-14/h5,8-9,11H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyAWGRVKIGSHCFEN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.64
Rot. Bonds3

About 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid

2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid (PubChem CID 82473039) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid
PubChem CID82473039
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid
SMILESCn1ccc(C(C(=O)O)N2CCCCC2)c1
InChIInChI=1S/C12H18N2O2/c1-13-8-5-10(9-13)11(12(15)16)14-6-3-2-4-7-14/h5,8-9,11H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyAWGRVKIGSHCFEN-UHFFFAOYSA-N
XLogP1.64
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(Dimethylamino)-2-(pyridin-3-yl)acetic acid
CID 22713930
2-(1-methyl-1H-pyrrol-3-yl)acetic acid
CID 26722643
2-(1-methyl-1H-pyrrol-3-yl)propanoic acid
CID 82280163
Methyl 2-[3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridin-3-ylacetate
CID 71912191
(2R)-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453572
Fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate
CID 143630290
Ethyl (1-methyl-1H-pyrrol-3-yl)acetate
CID 12330495
5-(1-Methylpyridin-1-ium-4-yl)tetrazole-5-carboxylic acid
CID 123588296
2-Isocyano-2-pyridin-4-ylacetic acid
CID 123805387
2-[1-(2-Fluoroethyl)pyrrol-3-yl]acetic acid
CID 84654008
2-[1-(2-Fluoropropyl)pyrrol-3-yl]acetic acid
CID 84660008
2-[1-(2-Fluoroethyl)pyrrol-3-yl]propanoic acid
CID 84660009

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid (CID 82473039) is 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid is Cn1ccc(C(C(=O)O)N2CCCCC2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is AWGRVKIGSHCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-8-5-10(9-13)11(12(15)16)14-6-3-2-4-7-14/h5,8-9,11H,2-4,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid?
2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 222.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 82473039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).