5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C15H13NO4 — CID 13487048

IUPAC5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccccc1O)c1ccc2n1CCC2C(=O)O
InChIInChI=1S/C15H13NO4/c17-13-4-2-1-3-10(13)14(18)12-6-5-11-9(15(19)20)7-8-16(11)12/h1-6,9,17H,7-8H2,(H,19,20)
InChIKeyYVIFKVMWPOECQQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 13487048) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID13487048
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccccc1O)c1ccc2n1CCC2C(=O)O
InChIInChI=1S/C15H13NO4/c17-13-4-2-1-3-10(13)14(18)12-6-5-11-9(15(19)20)7-8-16(11)12/h1-6,9,17H,7-8H2,(H,19,20)
InChIKeyYVIFKVMWPOECQQ-UHFFFAOYSA-N
XLogP2.00
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ketorolac
CID 3826
(+)-Ketorolac
CID 181818
(-)-Ketorolac
CID 181817
4-Hydroxyketorolac
CID 3082630
Anirolac
CID 47975
5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487063
Ketorolac tromethamine; phenylephrine hydrochloride
CID 56950933
5-(4-prop-2-enoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487046
5-(4-acetylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487061
5-(4-Fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 12915914
5-benzoyl-6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13068179
5-(2-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487031

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 13487048) is 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is O=C(c1ccccc1O)c1ccc2n1CCC2C(=O)O.
What is the InChIKey of 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is YVIFKVMWPOECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-13-4-2-1-3-10(13)14(18)12-6-5-11-9(15(19)20)7-8-16(11)12/h1-6,9,17H,7-8H2,(H,19,20).
What are the key properties of 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 13487048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).