ethyl (2S)-2-piperidin-1-ylpropanoate

C10H19NO2 — CID 40525586

IUPACethyl (2S)-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)[C@H](C)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyITYAIFQYIIUEEY-VIFPVBQESA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About ethyl (2S)-2-piperidin-1-ylpropanoate

ethyl (2S)-2-piperidin-1-ylpropanoate (PubChem CID 40525586) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl (2S)-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-piperidin-1-ylpropanoate
PubChem CID40525586
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl (2S)-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)[C@H](C)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyITYAIFQYIIUEEY-VIFPVBQESA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-piperidin-1-ylpropanoate?
The IUPAC name of ethyl (2S)-2-piperidin-1-ylpropanoate (CID 40525586) is ethyl (2S)-2-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl (2S)-2-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl (2S)-2-piperidin-1-ylpropanoate is CCOC(=O)[C@H](C)N1CCCCC1.
What is the InChIKey of ethyl (2S)-2-piperidin-1-ylpropanoate?
The InChIKey is ITYAIFQYIIUEEY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-piperidin-1-ylpropanoate?
ethyl (2S)-2-piperidin-1-ylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 40525586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).