(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid

C11H15NO3 — CID 110838455

IUPAC(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccco1)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(10-5-3-7-15-10)12-6-2-4-9(12)11(13)14/h3,5,7-9H,2,4,6H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyLWNRYIRCUIUPSL-GKAPJAKFSA-N
MW209.25 g/mol
LogP1.89
Rot. Bonds3

About (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 110838455) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID110838455
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccco1)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(10-5-3-7-15-10)12-6-2-4-9(12)11(13)14/h3,5,7-9H,2,4,6H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyLWNRYIRCUIUPSL-GKAPJAKFSA-N
XLogP1.89
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175906
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3876108
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664
1-[furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 5178360
1-[(5-ethylthiophen-2-yl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4297332
1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4203108
1-[(3-fluoro-4-methoxyphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4298057
1-[furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 4281079
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056478
(2R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 97175615

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 110838455) is (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid is CC(c1ccco1)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LWNRYIRCUIUPSL-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(10-5-3-7-15-10)12-6-2-4-9(12)11(13)14/h3,5,7-9H,2,4,6H2,1H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 110838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).