ethyl 3-amino-2-oxopiperidine-3-carboxylate

C8H14N2O3 — CID 101481418

IUPACethyl 3-amino-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1(N)CCCNC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-7(12)8(9)4-3-5-10-6(8)11/h2-5,9H2,1H3,(H,10,11)
InChIKeyPXOWLRYCOGZEEH-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.84
Rot. Bonds2

About ethyl 3-amino-2-oxopiperidine-3-carboxylate

ethyl 3-amino-2-oxopiperidine-3-carboxylate (PubChem CID 101481418) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 3-amino-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-oxopiperidine-3-carboxylate
PubChem CID101481418
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 3-amino-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1(N)CCCNC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-7(12)8(9)4-3-5-10-6(8)11/h2-5,9H2,1H3,(H,10,11)
InChIKeyPXOWLRYCOGZEEH-UHFFFAOYSA-N
XLogP-0.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Carbethoxy-2-piperidone
CID 97773
Ethyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 67402659
Ethyl (3S)-3-fluoro-2-oxo-3-piperidinecarboxylate
CID 67465671
Ethyl 4-fluoro-2-oxopiperidine-3-carboxylate
CID 123753147
Actinium;[3-ethoxycarbonyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide
CID 145829999
ethyl (3R)-4-fluoro-2-oxopiperidine-3-carboxylate
CID 164065323
Ethyl 3-amino-2-oxo-4-(trifluoromethyl)piperidine-3-carboxylate
CID 145830000
Ethyl 3-acetamido-2-oxo-4-(trifluoromethyl)piperidine-3-carboxylate
CID 162548234
Ethyl 3-methyl-2-oxopiperidine-3-carboxylate
CID 13584855
Ethyl 5-methyl-2-oxopiperidine-3-carboxylate
CID 15257818
ethyl (3R)-5-methyl-2-oxopiperidine-3-carboxylate
CID 18644215
ethyl (3S)-5-methyl-2-oxopiperidine-3-carboxylate
CID 54098368

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 3-amino-2-oxopiperidine-3-carboxylate (CID 101481418) is ethyl 3-amino-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 3-amino-2-oxopiperidine-3-carboxylate is CCOC(=O)C1(N)CCCNC1=O.
What is the InChIKey of ethyl 3-amino-2-oxopiperidine-3-carboxylate?
The InChIKey is PXOWLRYCOGZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-7(12)8(9)4-3-5-10-6(8)11/h2-5,9H2,1H3,(H,10,11).
What are the key properties of ethyl 3-amino-2-oxopiperidine-3-carboxylate?
ethyl 3-amino-2-oxopiperidine-3-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 101481418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).