4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid

C14H21NO4 — CID 55076314

IUPAC4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1CCCC1CCCO
InChIInChI=1S/C14H21NO4/c1-10-11(8-13(19-10)14(17)18)9-15-6-2-4-12(15)5-3-7-16/h8,12,16H,2-7,9H2,1H3,(H,17,18)
InChIKeyFKMGPDDRSFOWMS-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.02
Rot. Bonds6

About 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid

4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 55076314) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID55076314
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1CCCC1CCCO
InChIInChI=1S/C14H21NO4/c1-10-11(8-13(19-10)14(17)18)9-15-6-2-4-12(15)5-3-7-16/h8,12,16H,2-7,9H2,1H3,(H,17,18)
InChIKeyFKMGPDDRSFOWMS-UHFFFAOYSA-N
XLogP2.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 62274666
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
1-[4-hydroxy-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 62469020
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434906
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
CID 63569410
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081
5-[[2-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 112748717
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63021532

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid (CID 55076314) is 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1CN1CCCC1CCCO.
What is the InChIKey of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is FKMGPDDRSFOWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-11(8-13(19-10)14(17)18)9-15-6-2-4-12(15)5-3-7-16/h8,12,16H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 55076314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).