3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid

C11H14N2O3 — CID 103550896

IUPAC3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nn2cccc2)C1
InChIInChI=1S/C11H14N2O3/c14-10(12-13-5-1-2-6-13)8-3-4-9(7-8)11(15)16/h1-2,5-6,8-9H,3-4,7H2,(H,12,14)(H,15,16)
InChIKeyRLFWGTJWZAQWBT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.06
Rot. Bonds3

About 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid

3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103550896) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103550896
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nn2cccc2)C1
InChIInChI=1S/C11H14N2O3/c14-10(12-13-5-1-2-6-13)8-3-4-9(7-8)11(15)16/h1-2,5-6,8-9H,3-4,7H2,(H,12,14)(H,15,16)
InChIKeyRLFWGTJWZAQWBT-UHFFFAOYSA-N
XLogP1.06
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(pyrrol-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 79090272
4-(aminomethyl)-N-pyrrol-1-ylcyclohexane-1-carboxamide
CID 79526551
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
5-(pyrrol-1-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688675
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 79100439
2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
CID 130905184
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103550896) is 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nn2cccc2)C1.
What is the InChIKey of 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is RLFWGTJWZAQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(12-13-5-1-2-6-13)8-3-4-9(7-8)11(15)16/h1-2,5-6,8-9H,3-4,7H2,(H,12,14)(H,15,16).
What are the key properties of 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrol-1-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).