1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid

C13H19NO3 — CID 79383098

IUPAC1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccco1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H19NO3/c1-3-11(12-5-4-8-17-12)14-7-6-10(9(14)2)13(15)16/h4-5,8-11H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyJYBYNGTXSDDEAE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid

1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79383098) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79383098
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccco1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H19NO3/c1-3-11(12-5-4-8-17-12)14-7-6-10(9(14)2)13(15)16/h4-5,8-11H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyJYBYNGTXSDDEAE-UHFFFAOYSA-N
XLogP2.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382768
1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382695
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071570
1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
CID 65069150
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
1-[1-[1-(furan-2-yl)propyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79316721
1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061066
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383673

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79383098) is 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid is CCC(c1ccco1)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JYBYNGTXSDDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-11(12-5-4-8-17-12)14-7-6-10(9(14)2)13(15)16/h4-5,8-11H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).