4-(3-propylpyrrolidine-1-carbonyl)benzoic acid

C15H19NO3 — CID 112700698

IUPAC4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
SMILESCCCC1CCN(C(=O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H19NO3/c1-2-3-11-8-9-16(10-11)14(17)12-4-6-13(7-5-12)15(18)19/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyXZUFWITXHVMRIC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds4

About 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid

4-(3-propylpyrrolidine-1-carbonyl)benzoic acid (PubChem CID 112700698) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
PubChem CID112700698
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
SMILESCCCC1CCN(C(=O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H19NO3/c1-2-3-11-8-9-16(10-11)14(17)12-4-6-13(7-5-12)15(18)19/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyXZUFWITXHVMRIC-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615300
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
(4-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243172
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
(4-bromophenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801097
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414

Frequently Asked Questions

What is the IUPAC name of 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid?
The IUPAC name of 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid (CID 112700698) is 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid?
The canonical SMILES for 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid is CCCC1CCN(C(=O)c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid?
The InChIKey is XZUFWITXHVMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-11-8-9-16(10-11)14(17)12-4-6-13(7-5-12)15(18)19/h4-7,11H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid?
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylpyrrolidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 112700698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).