1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid

C13H17NO5 — CID 54594490

IUPAC1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1C(C(=O)O)CCC1c1ccc(C)o1
InChIInChI=1S/C13H17NO5/c1-3-18-13(17)14-9(5-6-10(14)12(15)16)11-7-4-8(2)19-11/h4,7,9-10H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyQYRVZFXAMIYZCG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.33
Rot. Bonds3

About 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid

1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 54594490) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID54594490
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1C(C(=O)O)CCC1c1ccc(C)o1
InChIInChI=1S/C13H17NO5/c1-3-18-13(17)14-9(5-6-10(14)12(15)16)11-7-4-8(2)19-11/h4,7,9-10H,3,5-6H2,1-2H3,(H,15,16)
InChIKeyQYRVZFXAMIYZCG-UHFFFAOYSA-N
XLogP2.33
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid (CID 54594490) is 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid is CCOC(=O)N1C(C(=O)O)CCC1c1ccc(C)o1.
What is the InChIKey of 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is QYRVZFXAMIYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-18-13(17)14-9(5-6-10(14)12(15)16)11-7-4-8(2)19-11/h4,7,9-10H,3,5-6H2,1-2H3,(H,15,16).
What are the key properties of 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid?
1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonyl-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54594490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).