5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid

C12H17NO4 — CID 64598988

IUPAC5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
SMILESCOCC1CCN(Cc2cc(C(=O)O)co2)C1
InChIInChI=1S/C12H17NO4/c1-16-7-9-2-3-13(5-9)6-11-4-10(8-17-11)12(14)15/h4,8-9H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyGUCYGAWLFDPJNQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.45
Rot. Bonds5

About 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid

5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 64598988) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
PubChem CID64598988
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
SMILESCOCC1CCN(Cc2cc(C(=O)O)co2)C1
InChIInChI=1S/C12H17NO4/c1-16-7-9-2-3-13(5-9)6-11-4-10(8-17-11)12(14)15/h4,8-9H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyGUCYGAWLFDPJNQ-UHFFFAOYSA-N
XLogP1.45
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 112626150
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
4-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzoic acid
CID 64582622
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-carboxylic acid
CID 55053671
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106589648
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid (CID 64598988) is 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid is COCC1CCN(Cc2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The InChIKey is GUCYGAWLFDPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-16-7-9-2-3-13(5-9)6-11-4-10(8-17-11)12(14)15/h4,8-9H,2-3,5-7H2,1H3,(H,14,15).
What are the key properties of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 64598988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).