4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid

C11H17NO5 — CID 67082647

IUPAC4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
SMILESCCOC(=O)CC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H17NO5/c1-2-17-10(14)7-9(13)8-3-5-12(6-4-8)11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyZRFBFRUZXFGZIE-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.90
Rot. Bonds4

About 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid

4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid (PubChem CID 67082647) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
PubChem CID67082647
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
SMILESCCOC(=O)CC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H17NO5/c1-2-17-10(14)7-9(13)8-3-5-12(6-4-8)11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyZRFBFRUZXFGZIE-UHFFFAOYSA-N
XLogP0.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
benzyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 155295084
ethane;ethyl 3-[4-(4-methylcyclohexyl)cyclohexyl]-3-oxopropanoate
CID 143189050
methyl 4-(3-ethoxy-3-oxopropanoyl)-2-methylpiperidine-1-carboxylate
CID 66731991
methyl (2R,4R)-4-(3-ethoxy-3-oxopropanoyl)-2-methylpiperidine-1-carboxylate
CID 68503034
4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
CID 126511695
ethyl 3-oxo-3-(1-propylazetidin-3-yl)propanoate
CID 59412172
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
methyl 4-(2-aminoacetyl)piperidine-1-carboxylate
CID 115006817
ethyl 3-cyclohex-3-en-1-yl-3-oxopropanoate
CID 102362689
methyl (2R,4S)-2-(difluoromethyl)-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 131730446
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid (CID 67082647) is 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid is CCOC(=O)CC(=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid?
The InChIKey is ZRFBFRUZXFGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-17-10(14)7-9(13)8-3-5-12(6-4-8)11(15)16/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid?
4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67082647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).