methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate

C10H17NO3 — CID 102466950

IUPACmethyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=O)C[C@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)9-6-8(12)4-5-11(9)10(13)14-3/h7,9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyFWRHAIDVFGEGAM-VIFPVBQESA-N
MW199.25 g/mol
LogP1.44
Rot. Bonds1

About methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate

methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate (PubChem CID 102466950) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate
PubChem CID102466950
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=O)C[C@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)9-6-8(12)4-5-11(9)10(13)14-3/h7,9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyFWRHAIDVFGEGAM-VIFPVBQESA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate (CID 102466950) is methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate is COC(=O)N1CCC(=O)C[C@H]1C(C)C.
What is the InChIKey of methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is FWRHAIDVFGEGAM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)9-6-8(12)4-5-11(9)10(13)14-3/h7,9H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate?
methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 102466950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).