1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid

C12H17NO3 — CID 65056029

IUPAC1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(CN2CCCC2C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-2-9-5-6-10(16-9)8-13-7-3-4-11(13)12(14)15/h5-6,11H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyFOEMEKVFMAKDTE-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.89
Rot. Bonds4

About 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 65056029) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID65056029
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(CN2CCCC2C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-2-9-5-6-10(16-9)8-13-7-3-4-11(13)12(14)15/h5-6,11H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyFOEMEKVFMAKDTE-UHFFFAOYSA-N
XLogP1.89
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
1-[(5-bromofuran-2-yl)methyl]azepane-2-carboxylic acid
CID 64562185
(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038731
1-[(5-ethylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470950
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid
CID 122040434
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
ethyl 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62028737
1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82470543
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 65056029) is 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid is CCc1ccc(CN2CCCC2C(=O)O)o1.
What is the InChIKey of 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FOEMEKVFMAKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-9-5-6-10(16-9)8-13-7-3-4-11(13)12(14)15/h5-6,11H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).