2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid

C14H25NO3 — CID 64526179

IUPAC2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid
SMILESCCC1(C)CC(CC(=O)O)(N2CCCC2)CCO1
InChIInChI=1S/C14H25NO3/c1-3-13(2)11-14(6-9-18-13,10-12(16)17)15-7-4-5-8-15/h3-11H2,1-2H3,(H,16,17)
InChIKeyZJQMHDQYYCQTNK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid

2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid (PubChem CID 64526179) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid
PubChem CID64526179
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid
SMILESCCC1(C)CC(CC(=O)O)(N2CCCC2)CCO1
InChIInChI=1S/C14H25NO3/c1-3-13(2)11-14(6-9-18-13,10-12(16)17)15-7-4-5-8-15/h3-11H2,1-2H3,(H,16,17)
InChIKeyZJQMHDQYYCQTNK-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid (CID 64526179) is 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid is CCC1(C)CC(CC(=O)O)(N2CCCC2)CCO1.
What is the InChIKey of 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid?
The InChIKey is ZJQMHDQYYCQTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-13(2)11-14(6-9-18-13,10-12(16)17)15-7-4-5-8-15/h3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid?
2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyl-4-pyrrolidin-1-yloxan-4-yl)acetic acid is sourced from PubChem (CID 64526179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).