methyl (3R)-3-hydroxypiperidine-3-carboxylate

C7H13NO3 — CID 86334558

IUPACmethyl (3R)-3-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(O)CCCNC1
InChIInChI=1S/C7H13NO3/c1-11-6(9)7(10)3-2-4-8-5-7/h8,10H,2-5H2,1H3/t7-/m1/s1
InChIKeyXTESLNLUWWTVGF-SSDOTTSWSA-N
MW159.18 g/mol
LogP-0.73
Rot. Bonds1

About methyl (3R)-3-hydroxypiperidine-3-carboxylate

methyl (3R)-3-hydroxypiperidine-3-carboxylate (PubChem CID 86334558) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (3R)-3-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxypiperidine-3-carboxylate
PubChem CID86334558
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (3R)-3-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(O)CCCNC1
InChIInChI=1S/C7H13NO3/c1-11-6(9)7(10)3-2-4-8-5-7/h8,10H,2-5H2,1H3/t7-/m1/s1
InChIKeyXTESLNLUWWTVGF-SSDOTTSWSA-N
XLogP-0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
(3R)-N-ethyl-3-hydroxypiperidine-3-carboxamide
CID 124673250
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
1-(3-methoxypiperidin-3-yl)ethanone
CID 165465441
methyl (3R)-3-(4,4-difluorobutyl)piperidine-3-carboxylate
CID 178133958
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 83906845
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
methyl 3-(methylsulfonylmethyl)pyrrolidine-3-carboxylate
CID 167723601

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxypiperidine-3-carboxylate?
The IUPAC name of methyl (3R)-3-hydroxypiperidine-3-carboxylate (CID 86334558) is methyl (3R)-3-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-hydroxypiperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-3-hydroxypiperidine-3-carboxylate is COC(=O)[C@@]1(O)CCCNC1.
What is the InChIKey of methyl (3R)-3-hydroxypiperidine-3-carboxylate?
The InChIKey is XTESLNLUWWTVGF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-6(9)7(10)3-2-4-8-5-7/h8,10H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of methyl (3R)-3-hydroxypiperidine-3-carboxylate?
methyl (3R)-3-hydroxypiperidine-3-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 86334558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).