methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate

C9H17NO4 — CID 11424240

IUPACmethyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1N[C@@H](CO)C[C@H](O)[C@@H]1C
InChIInChI=1S/C9H17NO4/c1-5-7(12)3-6(4-11)10-8(5)9(13)14-2/h5-8,10-12H,3-4H2,1-2H3/t5-,6+,7-,8-/m0/s1
InChIKeyHECDJULTSXTNTP-YWIQKCBGSA-N
MW203.24 g/mol
LogP-1.12
Rot. Bonds2

About methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate

methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate (PubChem CID 11424240) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate
PubChem CID11424240
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1N[C@@H](CO)C[C@H](O)[C@@H]1C
InChIInChI=1S/C9H17NO4/c1-5-7(12)3-6(4-11)10-8(5)9(13)14-2/h5-8,10-12H,3-4H2,1-2H3/t5-,6+,7-,8-/m0/s1
InChIKeyHECDJULTSXTNTP-YWIQKCBGSA-N
XLogP-1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
CID 59796283
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
methyl (1R,2R,3S,5S)-3-hydroxy-5-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylate
CID 163009218
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
CID 54509998
methyl 2-[(2R,4S,5S,6S)-6-(4-fluorophenyl)-4-hydroxy-5-methylpiperidin-2-yl]acetate
CID 118712100
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
methyl 5,5-difluoro-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 130796535
methyl (1R,2R,3R,5R)-5-(2-chloropropan-2-yl)-3-hydroxy-2-methylcyclopentane-1-carboxylate
CID 139623994
methyl (2S,3S,4R)-3,4-dihydroxypiperidine-2-carboxylate
CID 178197389
methyl 2-(chloromethyl)-3-hydroxycyclopentane-1-carboxylate
CID 130003836
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
CID 71226736

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate?
The IUPAC name of methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate (CID 11424240) is methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate is COC(=O)[C@H]1N[C@@H](CO)C[C@H](O)[C@@H]1C.
What is the InChIKey of methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate?
The InChIKey is HECDJULTSXTNTP-YWIQKCBGSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5-7(12)3-6(4-11)10-8(5)9(13)14-2/h5-8,10-12H,3-4H2,1-2H3/t5-,6+,7-,8-/m0/s1.
What are the key properties of methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate?
methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate is sourced from PubChem (CID 11424240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).