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

C14H20N2O4 — CID 63170170

IUPAC5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(N3CCOCC3)C2)o1
InChIInChI=1S/C14H20N2O4/c17-14(18)13-2-1-12(20-13)10-15-4-3-11(9-15)16-5-7-19-8-6-16/h1-2,11H,3-10H2,(H,17,18)
InChIKeyHVUFFWRWUONNDU-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.88
Rot. Bonds4

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

5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 63170170) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID63170170
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(N3CCOCC3)C2)o1
InChIInChI=1S/C14H20N2O4/c17-14(18)13-2-1-12(20-13)10-15-4-3-11(9-15)16-5-7-19-8-6-16/h1-2,11H,3-10H2,(H,17,18)
InChIKeyHVUFFWRWUONNDU-UHFFFAOYSA-N
XLogP0.88
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63170748
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 63167064
2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 82979175
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169493
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
CID 63170231
2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 107740337
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781
1-(4-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170407
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170483
N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 63167944

Frequently Asked Questions

What is the IUPAC name of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (CID 63170170) is 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-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]furan-2-carboxylic acid?
The InChIKey is HVUFFWRWUONNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-14(18)13-2-1-12(20-13)10-15-4-3-11(9-15)16-5-7-19-8-6-16/h1-2,11H,3-10H2,(H,17,18).
What are the key properties of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.88, 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]furan-2-carboxylic acid is sourced from PubChem (CID 63170170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).