1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C15H17NO4 — CID 24701581

IUPAC1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO4/c17-12-7-13(15(19)20)16(8-12)14(18)11-5-4-9-2-1-3-10(9)6-11/h4-6,12-13,17H,1-3,7-8H2,(H,19,20)
InChIKeyUIOOTHCMLZKHPR-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.84
Rot. Bonds2

About 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 24701581) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID24701581
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO4/c17-12-7-13(15(19)20)16(8-12)14(18)11-5-4-9-2-1-3-10(9)6-11/h4-6,12-13,17H,1-3,7-8H2,(H,19,20)
InChIKeyUIOOTHCMLZKHPR-UHFFFAOYSA-N
XLogP0.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 24701581) is 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UIOOTHCMLZKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-12-7-13(15(19)20)16(8-12)14(18)11-5-4-9-2-1-3-10(9)6-11/h4-6,12-13,17H,1-3,7-8H2,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24701581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).