3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid

C18H24N2O5 — CID 124701269

IUPAC3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H24N2O5/c21-16-10-13(11-19(16)12-15-5-3-9-25-15)18(24)20-8-2-1-4-14(20)6-7-17(22)23/h3,5,9,13-14H,1-2,4,6-8,10-12H2,(H,22,23)/t13-,14+/m0/s1
InChIKeyOVKQFFVAQDFQJJ-UONOGXRCSA-N
MW348.40 g/mol
LogP1.87
Rot. Bonds6

About 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 124701269) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID124701269
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H24N2O5/c21-16-10-13(11-19(16)12-15-5-3-9-25-15)18(24)20-8-2-1-4-14(20)6-7-17(22)23/h3,5,9,13-14H,1-2,4,6-8,10-12H2,(H,22,23)/t13-,14+/m0/s1
InChIKeyOVKQFFVAQDFQJJ-UONOGXRCSA-N
XLogP1.87
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid with MolForge

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Related Compounds

3-[(3S)-1-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124700679
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 99998905
(4S)-4-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100909787
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
(3R)-4-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125119389
1-(furan-2-ylmethyl)-4-[3-(2-oxopropyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 75455492
(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94136051
4-(2,4-dimethylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 71877105
(4S)-4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100892241
4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55329253
1-(furan-2-ylmethyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110886753

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid (CID 124701269) is 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid is O=C(O)CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is OVKQFFVAQDFQJJ-UONOGXRCSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-16-10-13(11-19(16)12-15-5-3-9-25-15)18(24)20-8-2-1-4-14(20)6-7-17(22)23/h3,5,9,13-14H,1-2,4,6-8,10-12H2,(H,22,23)/t13-,14+/m0/s1.
What are the key properties of 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124701269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).