3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C15H23NO5 — CID 25219937

IUPAC3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)C2C(C(=O)O)C2(C)C)C1
InChIInChI=1S/C15H23NO5/c1-4-21-14(20)9-6-5-7-16(8-9)12(17)10-11(13(18)19)15(10,2)3/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyYHQVBIYAMICIEJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.14
Rot. Bonds4

About 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 25219937) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID25219937
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1CCCN(C(=O)C2C(C(=O)O)C2(C)C)C1
InChIInChI=1S/C15H23NO5/c1-4-21-14(20)9-6-5-7-16(8-9)12(17)10-11(13(18)19)15(10,2)3/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyYHQVBIYAMICIEJ-UHFFFAOYSA-N
XLogP1.14
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 25219937) is 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CCOC(=O)C1CCCN(C(=O)C2C(C(=O)O)C2(C)C)C1.
What is the InChIKey of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is YHQVBIYAMICIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-4-21-14(20)9-6-5-7-16(8-9)12(17)10-11(13(18)19)15(10,2)3/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxycarbonylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 25219937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).