2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide

C11H16N2O4 — CID 106672810

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CC(O)C(O)C1)NCc1ccco1
InChIInChI=1S/C11H16N2O4/c14-9-5-13(6-10(9)15)7-11(16)12-4-8-2-1-3-17-8/h1-3,9-10,14-15H,4-7H2,(H,12,16)
InChIKeyCOZMQZNYKWSHAV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.07
Rot. Bonds4

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 106672810) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID106672810
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CC(O)C(O)C1)NCc1ccco1
InChIInChI=1S/C11H16N2O4/c14-9-5-13(6-10(9)15)7-11(16)12-4-8-2-1-3-17-8/h1-3,9-10,14-15H,4-7H2,(H,12,16)
InChIKeyCOZMQZNYKWSHAV-UHFFFAOYSA-N
XLogP-1.07
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72854538
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 106672810) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1CC(O)C(O)C1)NCc1ccco1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is COZMQZNYKWSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-5-13(6-10(9)15)7-11(16)12-4-8-2-1-3-17-8/h1-3,9-10,14-15H,4-7H2,(H,12,16).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 240.26 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 106672810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).