3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid

C17H29NO6 — CID 70562300

IUPAC3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid
SMILESCCC1(C(=O)O)C(C)NC(C)C(CC)(C(=O)O)C1(C(=O)O)C(C)C
InChIInChI=1S/C17H29NO6/c1-7-15(12(19)20)10(5)18-11(6)16(8-2,13(21)22)17(15,9(3)4)14(23)24/h9-11,18H,7-8H2,1-6H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyLVGFFQDDMQWXBH-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.06
Rot. Bonds6

About 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid

3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid (PubChem CID 70562300) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid
PubChem CID70562300
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid
SMILESCCC1(C(=O)O)C(C)NC(C)C(CC)(C(=O)O)C1(C(=O)O)C(C)C
InChIInChI=1S/C17H29NO6/c1-7-15(12(19)20)10(5)18-11(6)16(8-2,13(21)22)17(15,9(3)4)14(23)24/h9-11,18H,7-8H2,1-6H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyLVGFFQDDMQWXBH-UHFFFAOYSA-N
XLogP2.06
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-methoxypropanoate;2-methoxypropanoic acid
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2,2-dichloro-1-(chloromethyl)-3-methylcyclopropane-1-carboxylic acid
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4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
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3-ethyl-4-methyldioxetane-3-carboxylic acid
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CID 57065472

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid?
The IUPAC name of 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid (CID 70562300) is 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid.
What is the SMILES notation for 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid?
The canonical SMILES for 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid is CCC1(C(=O)O)C(C)NC(C)C(CC)(C(=O)O)C1(C(=O)O)C(C)C.
What is the InChIKey of 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid?
The InChIKey is LVGFFQDDMQWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6/c1-7-15(12(19)20)10(5)18-11(6)16(8-2,13(21)22)17(15,9(3)4)14(23)24/h9-11,18H,7-8H2,1-6H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid?
3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid has a molecular weight of 343.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,6-dimethyl-4-propan-2-ylpiperidine-3,4,5-tricarboxylic acid is sourced from PubChem (CID 70562300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).