(2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

C19H27NO8 — CID 11795088

IUPAC(2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESCOCOC[C@@H]1C[C@H](OCOC)C[C@H](C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C19H27NO8/c1-24-12-26-11-15-8-16(28-13-25-2)9-17(18(21)22)20(15)19(23)27-10-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,21,22)/t15-,16-,17+/m0/s1
InChIKeyYVGNJMDHXLMXNY-YESZJQIVSA-N
MW397.42 g/mol
LogP1.85
Rot. Bonds10

About (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

(2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 11795088) has the molecular formula C19H27NO8 and a molecular weight of 397.42 g/mol. Its IUPAC name is (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
PubChem CID11795088
Molecular FormulaC19H27NO8
Molecular Weight397.42 g/mol
Exact Mass397.17
IUPAC Name(2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESCOCOC[C@@H]1C[C@H](OCOC)C[C@H](C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C19H27NO8/c1-24-12-26-11-15-8-16(28-13-25-2)9-17(18(21)22)20(15)19(23)27-10-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,21,22)/t15-,16-,17+/m0/s1
InChIKeyYVGNJMDHXLMXNY-YESZJQIVSA-N
XLogP1.85
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-O-benzyl 1-O-methyl (1S,2R,4R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 135013218
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 10108536
1-O-benzyl 2-O-methyl (2S,5R)-5-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 15382863
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
1-O-benzyl 2-O-methyl (2S,5R,6S)-5-(methoxymethoxy)-6-prop-2-enylpiperidine-1,2-dicarboxylate
CID 135009292
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
(2S)-5-(iodomethyl)-2-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 89001136
1-O-benzyl 2-O-methyl (2S,4S,5R)-4-acetyloxy-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 14629884

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (CID 11795088) is (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is COCOC[C@@H]1C[C@H](OCOC)C[C@H](C(=O)O)N1C(=O)OCc1ccccc1.
What is the InChIKey of (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is YVGNJMDHXLMXNY-YESZJQIVSA-N. The full InChI is InChI=1S/C19H27NO8/c1-24-12-26-11-15-8-16(28-13-25-2)9-17(18(21)22)20(15)19(23)27-10-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,21,22)/t15-,16-,17+/m0/s1.
What are the key properties of (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
(2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 397.42 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-4-(methoxymethoxy)-6-(methoxymethoxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 11795088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).