2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid

C10H17NO4 — CID 52903749

IUPAC2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid
SMILESCCOC(=O)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyHRGCBRJWXRHEJU-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds4

About 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid

2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid (PubChem CID 52903749) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid
PubChem CID52903749
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid
SMILESCCOC(=O)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyHRGCBRJWXRHEJU-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid (CID 52903749) is 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid is CCOC(=O)C1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid?
The InChIKey is HRGCBRJWXRHEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid?
2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 52903749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).