3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid

C11H15NO4 — CID 103356684

IUPAC3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1(O)CCN(Cc2ccoc2C(=O)O)C1
InChIInChI=1S/C11H15NO4/c1-11(15)3-4-12(7-11)6-8-2-5-16-9(8)10(13)14/h2,5,15H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyOIKQNTRBDYOCPQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.93
Rot. Bonds3

About 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid

3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 103356684) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID103356684
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1(O)CCN(Cc2ccoc2C(=O)O)C1
InChIInChI=1S/C11H15NO4/c1-11(15)3-4-12(7-11)6-8-2-5-16-9(8)10(13)14/h2,5,15H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyOIKQNTRBDYOCPQ-UHFFFAOYSA-N
XLogP0.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153219
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 61441416
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
1-[(2-bromothiophen-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 131209423
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 103356685
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 103356642
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 103358731
3-[[(3aR,9aS)-5,8-difluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrol-2-yl]methyl]furan-2-carboxylic acid
CID 167963621
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728565

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (CID 103356684) is 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid is CC1(O)CCN(Cc2ccoc2C(=O)O)C1.
What is the InChIKey of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is OIKQNTRBDYOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(15)3-4-12(7-11)6-8-2-5-16-9(8)10(13)14/h2,5,15H,3-4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103356684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).