2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid

C9H15NO4 — CID 83848056

IUPAC2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CCN1C(=O)OC
InChIInChI=1S/C9H15NO4/c1-3-7-6(8(11)12)4-5-10(7)9(13)14-2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyBWPOXOQFMRTLOS-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds2

About 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid

2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 83848056) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID83848056
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CCN1C(=O)OC
InChIInChI=1S/C9H15NO4/c1-3-7-6(8(11)12)4-5-10(7)9(13)14-2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyBWPOXOQFMRTLOS-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid (CID 83848056) is 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid is CCC1C(C(=O)O)CCN1C(=O)OC.
What is the InChIKey of 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is BWPOXOQFMRTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-7-6(8(11)12)4-5-10(7)9(13)14-2/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid?
2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83848056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).