methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate

C9H17NO3 — CID 169177589

IUPACmethyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
SMILESCOC(=O)COC[C@H]1CCCNC1
InChIInChI=1S/C9H17NO3/c1-12-9(11)7-13-6-8-3-2-4-10-5-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyDLZJXQWNLDZYEZ-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.18
Rot. Bonds4

About methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate

methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate (PubChem CID 169177589) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
PubChem CID169177589
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
SMILESCOC(=O)COC[C@H]1CCCNC1
InChIInChI=1S/C9H17NO3/c1-12-9(11)7-13-6-8-3-2-4-10-5-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyDLZJXQWNLDZYEZ-QMMMGPOBSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
N-tert-butyl-2-(piperidin-3-ylmethoxy)acetamide
CID 62341241
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
methyl 2-bromo-3-(piperidin-3-ylmethoxy)propanoate
CID 83212383
2-(piperidin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55061103
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
3-(2-chloroprop-2-enoxymethyl)piperidine
CID 62340903
N-(oxan-4-yl)-2-(piperidin-3-ylmethoxy)acetamide
CID 63098360
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate?
The IUPAC name of methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate (CID 169177589) is methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate.
What is the SMILES notation for methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate?
The canonical SMILES for methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate is COC(=O)COC[C@H]1CCCNC1.
What is the InChIKey of methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate?
The InChIKey is DLZJXQWNLDZYEZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-9(11)7-13-6-8-3-2-4-10-5-8/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate?
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate is sourced from PubChem (CID 169177589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).