1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H15NO5 — CID 43209855

IUPAC1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCc1ccco1
InChIInChI=1S/C12H15NO5/c14-8-6-10(12(16)17)13(7-8)11(15)4-3-9-2-1-5-18-9/h1-2,5,8,10,14H,3-4,6-7H2,(H,16,17)
InChIKeyBWFAHETVZYPRCC-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.26
Rot. Bonds4

About 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43209855) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43209855
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCc1ccco1
InChIInChI=1S/C12H15NO5/c14-8-6-10(12(16)17)13(7-8)11(15)4-3-9-2-1-5-18-9/h1-2,5,8,10,14H,3-4,6-7H2,(H,16,17)
InChIKeyBWFAHETVZYPRCC-UHFFFAOYSA-N
XLogP0.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842705
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
(2S,3aR,7aR)-1-[3-(furan-2-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124836420
(2S,3aS,7aR)-1-[3-(furan-2-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124836421
(2S,4S)-4-hydroxy-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 64714756
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
(2R,4R)-4-hydroxy-1-(4-phenylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 79000297
(2R,4R)-1-[4-(5-bromothiophen-2-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000683
(2S,4R)-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
CID 30118146
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
(2S,4R)-4-hydroxy-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 63842998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 43209855) is 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)CCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BWFAHETVZYPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-8-6-10(12(16)17)13(7-8)11(15)4-3-9-2-1-5-18-9/h1-2,5,8,10,14H,3-4,6-7H2,(H,16,17).
What are the key properties of 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43209855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).