1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H17ClN2O3 — CID 63032165

IUPAC1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCn1cc(Cl)cc1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-4-15-8-10(14)6-11(15)12(17)16-5-3-9(7-16)13(18)19/h6,8-9H,2-5,7H2,1H3,(H,18,19)
InChIKeyIQWBQOPWRUBFCA-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032165) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63032165
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCn1cc(Cl)cc1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-4-15-8-10(14)6-11(15)12(17)16-5-3-9(7-16)13(18)19/h6,8-9H,2-5,7H2,1H3,(H,18,19)
InChIKeyIQWBQOPWRUBFCA-UHFFFAOYSA-N
XLogP2.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291483
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
2-[1-(4-chloro-1-propylpyrrole-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680977
(4-chloro-1-propylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550757
(4-chloro-1-propylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 43639746
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone
CID 166254720
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 78925286
(4-chloro-1-propylpyrrol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261068
1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721380
(4-chloro-1-ethylpyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62534647
1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103194095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 63032165) is 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is CCCn1cc(Cl)cc1C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IQWBQOPWRUBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-4-15-8-10(14)6-11(15)12(17)16-5-3-9(7-16)13(18)19/h6,8-9H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).