ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate

C13H19NO4 — CID 62737323

IUPACethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC[C@@H]1CO
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)11-5-7-18-12(11)8-14-6-3-4-10(14)9-15/h5,7,10,15H,2-4,6,8-9H2,1H3/t10-/m1/s1
InChIKeyYMSIECTZOCIRDE-SNVBAGLBSA-N
MW253.30 g/mol
LogP1.41
Rot. Bonds5

About ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate

ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 62737323) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
PubChem CID62737323
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC[C@@H]1CO
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)11-5-7-18-12(11)8-14-6-3-4-10(14)9-15/h5,7,10,15H,2-4,6,8-9H2,1H3/t10-/m1/s1
InChIKeyYMSIECTZOCIRDE-SNVBAGLBSA-N
XLogP1.41
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]furan-3-carboxylate
CID 116637436
[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885811
ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate
CID 103352925
ethyl 2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 80506842
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
ethyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116631859
methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 51075350
ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55167904
ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate
CID 65461769
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
CID 18083540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate (CID 62737323) is ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCC[C@@H]1CO.
What is the InChIKey of ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is YMSIECTZOCIRDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-17-13(16)11-5-7-18-12(11)8-14-6-3-4-10(14)9-15/h5,7,10,15H,2-4,6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 62737323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).