ethyl (2S)-1-acetylpiperidine-2-carboxylate

C10H17NO3 — CID 101236662

IUPACethyl (2S)-1-acetylpiperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)9-6-4-5-7-11(9)8(2)12/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyKOGKOMSRHHUOAV-VIFPVBQESA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds2

About ethyl (2S)-1-acetylpiperidine-2-carboxylate

ethyl (2S)-1-acetylpiperidine-2-carboxylate (PubChem CID 101236662) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (2S)-1-acetylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-acetylpiperidine-2-carboxylate
PubChem CID101236662
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (2S)-1-acetylpiperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)9-6-4-5-7-11(9)8(2)12/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyKOGKOMSRHHUOAV-VIFPVBQESA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2S)-1-acetylpiperidine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-acetylpiperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-acetylpiperidine-2-carboxylate (CID 101236662) is ethyl (2S)-1-acetylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-acetylpiperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-acetylpiperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1C(C)=O.
What is the InChIKey of ethyl (2S)-1-acetylpiperidine-2-carboxylate?
The InChIKey is KOGKOMSRHHUOAV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(13)9-6-4-5-7-11(9)8(2)12/h9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-1-acetylpiperidine-2-carboxylate?
ethyl (2S)-1-acetylpiperidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-acetylpiperidine-2-carboxylate is sourced from PubChem (CID 101236662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).