(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid

C15H13NO6 — CID 175009720

IUPAC(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
SMILESCC(=O)O[C@@H]1CCn2c(C(=O)c3ccco3)cc(C(=O)O)c21
InChIInChI=1S/C15H13NO6/c1-8(17)22-11-4-5-16-10(7-9(13(11)16)15(19)20)14(18)12-3-2-6-21-12/h2-3,6-7,11H,4-5H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyNNHDLAIHTZICOC-LLVKDONJSA-N
MW303.27 g/mol
LogP2.02
Rot. Bonds4

About (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid

(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid (PubChem CID 175009720) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
PubChem CID175009720
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
SMILESCC(=O)O[C@@H]1CCn2c(C(=O)c3ccco3)cc(C(=O)O)c21
InChIInChI=1S/C15H13NO6/c1-8(17)22-11-4-5-16-10(7-9(13(11)16)15(19)20)14(18)12-3-2-6-21-12/h2-3,6-7,11H,4-5H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyNNHDLAIHTZICOC-LLVKDONJSA-N
XLogP2.02
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid with MolForge

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Related Compounds

furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;methanamine
CID 82372767
1-azabicyclo[2.2.2]octan-3-yl furan-2-carboxylate
CID 3900634
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
methyl 5-(furan-2-carbonyl)indolizine-7-carboxylate
CID 165114034
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
cyclopentyl furan-2-carboxylate
CID 565207
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
5-(furan-2-carbonyl)-6-prop-2-enylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 70451033

Frequently Asked Questions

What is the IUPAC name of (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid?
The IUPAC name of (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid (CID 175009720) is (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid is CC(=O)O[C@@H]1CCn2c(C(=O)c3ccco3)cc(C(=O)O)c21.
What is the InChIKey of (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid?
The InChIKey is NNHDLAIHTZICOC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13NO6/c1-8(17)22-11-4-5-16-10(7-9(13(11)16)15(19)20)14(18)12-3-2-6-21-12/h2-3,6-7,11H,4-5H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid?
(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 175009720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).