2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid

C13H22N2O3 — CID 55164770

IUPAC2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCCC1(C(=O)N2CCCC2CC(=O)O)CCNC1
InChIInChI=1S/C13H22N2O3/c1-2-13(5-6-14-9-13)12(18)15-7-3-4-10(15)8-11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyACZWBGXIBXJNQV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 55164770) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID55164770
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCCC1(C(=O)N2CCCC2CC(=O)O)CCNC1
InChIInChI=1S/C13H22N2O3/c1-2-13(5-6-14-9-13)12(18)15-7-3-4-10(15)8-11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyACZWBGXIBXJNQV-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid (CID 55164770) is 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid is CCC1(C(=O)N2CCCC2CC(=O)O)CCNC1.
What is the InChIKey of 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is ACZWBGXIBXJNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(5-6-14-9-13)12(18)15-7-3-4-10(15)8-11(16)17/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 55164770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).