(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid

C11H15NO3 — CID 96615458

IUPAC(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)CCN1Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-8-10(11(13)14)4-5-12(8)7-9-3-2-6-15-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyWUKFHMAFJGTGCQ-SCZZXKLOSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds3

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

(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 96615458) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID96615458
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)CCN1Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-8-10(11(13)14)4-5-12(8)7-9-3-2-6-15-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyWUKFHMAFJGTGCQ-SCZZXKLOSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022408
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
1-[(2-bromophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371953
2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
CID 112710160
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79383563
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383673
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529748
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid (CID 96615458) is (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid is C[C@@H]1[C@@H](C(=O)O)CCN1Cc1ccco1.
What is the InChIKey of (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WUKFHMAFJGTGCQ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-10(11(13)14)4-5-12(8)7-9-3-2-6-15-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid?
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96615458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).