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

C10H19NO3 — CID 92983244

IUPACethyl (2S)-2-ethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC[C@@H]1OCC
InChIInChI=1S/C10H19NO3/c1-3-13-9-7-5-6-8-11(9)10(12)14-4-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyVJMXRSVINBRXTL-VIFPVBQESA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds3

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

ethyl (2S)-2-ethoxypiperidine-1-carboxylate (PubChem CID 92983244) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (2S)-2-ethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-ethoxypiperidine-1-carboxylate
PubChem CID92983244
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (2S)-2-ethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC[C@@H]1OCC
InChIInChI=1S/C10H19NO3/c1-3-13-9-7-5-6-8-11(9)10(12)14-4-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyVJMXRSVINBRXTL-VIFPVBQESA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate
CID 131871757
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440
(2-ethoxypiperidin-1-yl)-phenylmethanone
CID 134988342
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-ethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-ethoxypiperidine-1-carboxylate (CID 92983244) is ethyl (2S)-2-ethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-ethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-ethoxypiperidine-1-carboxylate is CCOC(=O)N1CCCC[C@@H]1OCC.
What is the InChIKey of ethyl (2S)-2-ethoxypiperidine-1-carboxylate?
The InChIKey is VJMXRSVINBRXTL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-13-9-7-5-6-8-11(9)10(12)14-4-2/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-ethoxypiperidine-1-carboxylate?
ethyl (2S)-2-ethoxypiperidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-ethoxypiperidine-1-carboxylate is sourced from PubChem (CID 92983244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).