5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

C14H24N2O4 — CID 63170529

IUPAC5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCC(N3CCOCC3)C2)O1
InChIInChI=1S/C14H24N2O4/c17-14(18)13-2-1-12(20-13)10-15-4-3-11(9-15)16-5-7-19-8-6-16/h11-13H,1-10H2,(H,17,18)
InChIKeyLSDSFOHVEJWKKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.03
Rot. Bonds4

About 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 63170529) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID63170529
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCC(N3CCOCC3)C2)O1
InChIInChI=1S/C14H24N2O4/c17-14(18)13-2-1-12(20-13)10-15-4-3-11(9-15)16-5-7-19-8-6-16/h11-13H,1-10H2,(H,17,18)
InChIKeyLSDSFOHVEJWKKM-UHFFFAOYSA-N
XLogP0.03
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (CID 63170529) is 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CN2CCC(N3CCOCC3)C2)O1.
What is the InChIKey of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is LSDSFOHVEJWKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-14(18)13-2-1-12(20-13)10-15-4-3-11(9-15)16-5-7-19-8-6-16/h11-13H,1-10H2,(H,17,18).
What are the key properties of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 63170529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).