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

C16H21NO4 — CID 178202280

IUPAC(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESC[C@H]1C[C@@H](C)N(C(=O)OCc2ccccc2)[C@@H](C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-11-8-12(2)17(14(9-11)15(18)19)16(20)21-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,19)/t11-,12+,14+/m0/s1
InChIKeyGLWHQEUEPDJLJX-OUCADQQQSA-N
MW291.35 g/mol
LogP2.90
Rot. Bonds3

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

(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 178202280) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
PubChem CID178202280
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESC[C@H]1C[C@@H](C)N(C(=O)OCc2ccccc2)[C@@H](C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-11-8-12(2)17(14(9-11)15(18)19)16(20)21-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,19)/t11-,12+,14+/m0/s1
InChIKeyGLWHQEUEPDJLJX-OUCADQQQSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 155894007
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 10108536
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
benzyl (5R)-2-formyl-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 154622429
(2S,4R,5R)-2,5-dimethyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 178194460
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
benzyl (1S,2S,4R)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10610494
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (CID 178202280) is (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is C[C@H]1C[C@@H](C)N(C(=O)OCc2ccccc2)[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is GLWHQEUEPDJLJX-OUCADQQQSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-8-12(2)17(14(9-11)15(18)19)16(20)21-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,19)/t11-,12+,14+/m0/s1.
What are the key properties of (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 178202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).