ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate

C10H19NO2 — CID 129410961

IUPACethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1CC[C@H](C)CN1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)6-9-5-4-8(2)7-11-9/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQMPYUQGSSKVRJS-IUCAKERBSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds3

About ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate

ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate (PubChem CID 129410961) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
PubChem CID129410961
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1CC[C@H](C)CN1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)6-9-5-4-8(2)7-11-9/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQMPYUQGSSKVRJS-IUCAKERBSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300329
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate
CID 167723790
ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
CID 174843996
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-[(2R,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetate
CID 10900110
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 129388862
5-methyl-2-(2-methylpentyl)piperidine
CID 106778659
ethyl 2-(azetidin-3-yl)acetate;formic acid
CID 70080639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate (CID 129410961) is ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate is CCOC(=O)C[C@@H]1CC[C@H](C)CN1.
What is the InChIKey of ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate?
The InChIKey is QMPYUQGSSKVRJS-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)6-9-5-4-8(2)7-11-9/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate?
ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate is sourced from PubChem (CID 129410961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).