(3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid

C9H15NO5 — CID 123587407

IUPAC(3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid
SMILESCOC[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H15NO5/c1-15-5-7-3-2-6(8(11)12)4-10(7)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1
InChIKeyRMBLNCWVAJHCOK-RQJHMYQMSA-N
MW217.22 g/mol
LogP0.48
Rot. Bonds3

About (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid

(3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid (PubChem CID 123587407) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid
PubChem CID123587407
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid
SMILESCOC[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H15NO5/c1-15-5-7-3-2-6(8(11)12)4-10(7)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1
InChIKeyRMBLNCWVAJHCOK-RQJHMYQMSA-N
XLogP0.48
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,6S)-1-[(tert-butoxy)carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 66739888
1-((Tert-butoxy)carbonyl)-6,6-dimethylpiperidine-3-carboxylic acid
CID 58284604
1,6-Bis[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid
CID 67494799
rac-(3R,6R)-1,6-bis[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid
CID 122164528
2-(Methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 91911602
(2R,3S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
CID 50992664
cis-6-Methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
CID 66739886
2-(Difluoromethyl)-5-methoxycarbonylpiperidine-1-carboxylic acid
CID 71226353
5-methoxycarbonyl-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 121456230
5-methoxycarbonyl-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 121456557
5-[(Tert-butoxy)carbonyl]-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
CID 165821251
6-Methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid
CID 122083519

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid?
The IUPAC name of (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid (CID 123587407) is (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid is COC[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)O.
What is the InChIKey of (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid?
The InChIKey is RMBLNCWVAJHCOK-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H15NO5/c1-15-5-7-3-2-6(8(11)12)4-10(7)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1.
What are the key properties of (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid?
(3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(methoxymethyl)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 123587407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).