ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate

C12H20N2O4 — CID 536647

IUPACethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCCCC1=O)NC(C)=O
InChIInChI=1S/C12H20N2O4/c1-3-18-12(17)10(13-9(2)15)8-14-7-5-4-6-11(14)16/h10H,3-8H2,1-2H3,(H,13,15)
InChIKeyOSBWVXQKEHWCDU-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.07
Rot. Bonds5

About ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate

ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate (PubChem CID 536647) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate
PubChem CID536647
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCCCC1=O)NC(C)=O
InChIInChI=1S/C12H20N2O4/c1-3-18-12(17)10(13-9(2)15)8-14-7-5-4-6-11(14)16/h10H,3-8H2,1-2H3,(H,13,15)
InChIKeyOSBWVXQKEHWCDU-UHFFFAOYSA-N
XLogP0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate (CID 536647) is ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate is CCOC(=O)C(CN1CCCCC1=O)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate?
The InChIKey is OSBWVXQKEHWCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-18-12(17)10(13-9(2)15)8-14-7-5-4-6-11(14)16/h10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate?
ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate has a molecular weight of 256.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3-(2-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 536647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).