1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H16N2O3 — CID 43639281

IUPAC1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C13H16N2O3/c16-12(15-8-2-4-11(15)13(17)18)10-3-1-7-14(10)9-5-6-9/h1,3,7,9,11H,2,4-6,8H2,(H,17,18)
InChIKeyCESPJINSQXLCLN-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.51
Rot. Bonds3

About 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43639281) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43639281
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C13H16N2O3/c16-12(15-8-2-4-11(15)13(17)18)10-3-1-7-14(10)9-5-6-9/h1,3,7,9,11H,2,4-6,8H2,(H,17,18)
InChIKeyCESPJINSQXLCLN-UHFFFAOYSA-N
XLogP1.51
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43639306
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 114610715
(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000742
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 114610402
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922359
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 43639281) is 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cccn1C1CC1.
What is the InChIKey of 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CESPJINSQXLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(15-8-2-4-11(15)13(17)18)10-3-1-7-14(10)9-5-6-9/h1,3,7,9,11H,2,4-6,8H2,(H,17,18).
What are the key properties of 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43639281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).