3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride

C11H20ClNO4 — CID 71779234

IUPAC3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride
SMILESCCOC(=O)C1CCN(CCC(=O)O)CC1.Cl
InChIInChI=1S/C11H19NO4.ClH/c1-2-16-11(15)9-3-6-12(7-4-9)8-5-10(13)14;/h9H,2-8H2,1H3,(H,13,14);1H
InChIKeyVATCLGLNYGBFRA-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.16
Rot. Bonds5

About 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride

3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride (PubChem CID 71779234) has the molecular formula C11H20ClNO4 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride
PubChem CID71779234
Molecular FormulaC11H20ClNO4
Molecular Weight265.74 g/mol
Exact Mass265.11
IUPAC Name3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride
SMILESCCOC(=O)C1CCN(CCC(=O)O)CC1.Cl
InChIInChI=1S/C11H19NO4.ClH/c1-2-16-11(15)9-3-6-12(7-4-9)8-5-10(13)14;/h9H,2-8H2,1H3,(H,13,14);1H
InChIKeyVATCLGLNYGBFRA-UHFFFAOYSA-N
XLogP1.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid
CID 23297951
Methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate
CID 43392874
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
Ethyl 1-methylpiperidine-4-carboxylate hydrochloride
CID 52991957
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008
1-Propylpiperidine-4-carboxylic acid
CID 16228244
1-(Oxan-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 44120479

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride (CID 71779234) is 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride is CCOC(=O)C1CCN(CCC(=O)O)CC1.Cl.
What is the InChIKey of 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride?
The InChIKey is VATCLGLNYGBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4.ClH/c1-2-16-11(15)9-3-6-12(7-4-9)8-5-10(13)14;/h9H,2-8H2,1H3,(H,13,14);1H.
What are the key properties of 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride?
3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxycarbonylpiperidin-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 71779234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).