2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid

C14H18N2O3 — CID 3052197

IUPAC2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19)
InChIKeyLGQWLXQUWODSNU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid

2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid (PubChem CID 3052197) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid
PubChem CID3052197
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19)
InChIKeyLGQWLXQUWODSNU-UHFFFAOYSA-N
XLogP1.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid (CID 3052197) is 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NCCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid?
The InChIKey is LGQWLXQUWODSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19).
What are the key properties of 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid?
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 3052197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).