2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid

C11H19NO3 — CID 105466778

IUPAC2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H19NO3/c1-2-15-11(7-10(13)14)5-6-12(8-11)9-3-4-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeySGVXQZUIZAGOST-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds5

About 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid

2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid (PubChem CID 105466778) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
PubChem CID105466778
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
SMILESCCOC1(CC(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H19NO3/c1-2-15-11(7-10(13)14)5-6-12(8-11)9-3-4-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeySGVXQZUIZAGOST-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid (CID 105466778) is 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid is CCOC1(CC(=O)O)CCN(C2CC2)C1.
What is the InChIKey of 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid?
The InChIKey is SGVXQZUIZAGOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-11(7-10(13)14)5-6-12(8-11)9-3-4-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid?
2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 105466778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).