1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid

C17H24N2O3 — CID 166275939

IUPAC1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)O)CCN1C(=O)c1cccn1C1CCCC1
InChIInChI=1S/C17H24N2O3/c1-17(2)13(16(21)22)9-11-19(17)15(20)14-8-5-10-18(14)12-6-3-4-7-12/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3,(H,21,22)
InChIKeyAMINZMJYSJJGQE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.93
Rot. Bonds3

About 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid

1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 166275939) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
PubChem CID166275939
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)O)CCN1C(=O)c1cccn1C1CCCC1
InChIInChI=1S/C17H24N2O3/c1-17(2)13(16(21)22)9-11-19(17)15(20)14-8-5-10-18(14)12-6-3-4-7-12/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3,(H,21,22)
InChIKeyAMINZMJYSJJGQE-UHFFFAOYSA-N
XLogP2.93
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 114610398
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63607405
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110009433
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
(1-cyclohexylpyrrol-2-yl)-phenylmethanone
CID 25137250
2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657589
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid (CID 166275939) is 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid is CC1(C)C(C(=O)O)CCN1C(=O)c1cccn1C1CCCC1.
What is the InChIKey of 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is AMINZMJYSJJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2)13(16(21)22)9-11-19(17)15(20)14-8-5-10-18(14)12-6-3-4-7-12/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3,(H,21,22).
What are the key properties of 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid?
1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166275939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).