5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid

C16H19NO4 — CID 102688432

IUPAC5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(c3ccccc3)C2)O1
InChIInChI=1S/C16H19NO4/c18-15(13-6-7-14(21-13)16(19)20)17-9-8-12(10-17)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,19,20)
InChIKeyLJLYXMMXLGVRCD-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.63
Rot. Bonds3

About 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid

5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102688432) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102688432
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(c3ccccc3)C2)O1
InChIInChI=1S/C16H19NO4/c18-15(13-6-7-14(21-13)16(19)20)17-9-8-12(10-17)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,19,20)
InChIKeyLJLYXMMXLGVRCD-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62298901
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
4-oxo-4-(3-phenylpyrrolidin-1-yl)but-2-enoic acid
CID 74894511
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (CID 102688432) is 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCC(c3ccccc3)C2)O1.
What is the InChIKey of 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is LJLYXMMXLGVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(13-6-7-14(21-13)16(19)20)17-9-8-12(10-17)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,19,20).
What are the key properties of 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).