(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

C13H21NO4 — CID 124685754

IUPAC(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOCCC1(C(=O)N2CC[C@@H](C(=O)O)C2)CCC1
InChIInChI=1S/C13H21NO4/c1-18-8-6-13(4-2-5-13)12(17)14-7-3-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHAFCWKFTXNXFKG-SNVBAGLBSA-N
MW255.31 g/mol
LogP1.13
Rot. Bonds5

About (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 124685754) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID124685754
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOCCC1(C(=O)N2CC[C@@H](C(=O)O)C2)CCC1
InChIInChI=1S/C13H21NO4/c1-18-8-6-13(4-2-5-13)12(17)14-7-3-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHAFCWKFTXNXFKG-SNVBAGLBSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (CID 124685754) is (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is COCCC1(C(=O)N2CC[C@@H](C(=O)O)C2)CCC1.
What is the InChIKey of (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HAFCWKFTXNXFKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-8-6-13(4-2-5-13)12(17)14-7-3-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124685754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).