2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid

C11H15NO3 — CID 112710160

IUPAC2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-12-5-4-9(11(13)14)10(12)7-8-3-2-6-15-8/h2-3,6,9-10H,4-5,7H2,1H3,(H,13,14)
InChIKeyCCJNZOPCZFXINH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.23
Rot. Bonds3

About 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid

2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 112710160) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID112710160
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-12-5-4-9(11(13)14)10(12)7-8-3-2-6-15-8/h2-3,6,9-10H,4-5,7H2,1H3,(H,13,14)
InChIKeyCCJNZOPCZFXINH-UHFFFAOYSA-N
XLogP1.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
2-(furan-2-ylmethoxy)cycloheptane-1-carboxylic acid
CID 114990570
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383673
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
CID 112710161
(3S,4S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
CID 70736683
2-(cyclobutylmethyl)furan
CID 139469251

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid (CID 112710160) is 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)C1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CCJNZOPCZFXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12-5-4-9(11(13)14)10(12)7-8-3-2-6-15-8/h2-3,6,9-10H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid?
2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112710160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).