1-ethoxycarbonylpyrrolidine-2-carboxylic acid

C8H13NO4 — CID 3014376

IUPAC1-ethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyIJDOTHRWLOAOAC-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.69
Rot. Bonds2

About 1-ethoxycarbonylpyrrolidine-2-carboxylic acid

1-ethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 3014376) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-ethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID3014376
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-ethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyIJDOTHRWLOAOAC-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-ethoxycarbonylpyrrolidine-2-carboxylic acid (CID 3014376) is 1-ethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-ethoxycarbonylpyrrolidine-2-carboxylic acid is CCOC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is IJDOTHRWLOAOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
1-ethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3014376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).