3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

C16H21NO3 — CID 62272327

IUPAC3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCC(c3ccccc3)C2)CCOC1
InChIInChI=1S/C16H21NO3/c18-15(19)16(7-9-20-12-16)11-17-8-6-14(10-17)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19)
InChIKeyHVZJFYORCPNMAE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds4

About 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 62272327) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID62272327
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCC(c3ccccc3)C2)CCOC1
InChIInChI=1S/C16H21NO3/c18-15(19)16(7-9-20-12-16)11-17-8-6-14(10-17)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19)
InChIKeyHVZJFYORCPNMAE-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 55056174
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 102967452
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxolane-3-carboxylic acid
CID 81200543
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271743
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62133228
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272119
1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 91842994
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
CID 113280487
3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271543

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 62272327) is 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(CN2CCC(c3ccccc3)C2)CCOC1.
What is the InChIKey of 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is HVZJFYORCPNMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(19)16(7-9-20-12-16)11-17-8-6-14(10-17)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19).
What are the key properties of 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62272327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).