(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid

C9H17NO2 — CID 26722586

IUPAC(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
SMILESCCN1CCC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-3-10-6-4-5-9(2,7-10)8(11)12/h3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyXRUYERPASDPHOS-SECBINFHSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid

(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid (PubChem CID 26722586) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
PubChem CID26722586
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
SMILESCCN1CCC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-3-10-6-4-5-9(2,7-10)8(11)12/h3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyXRUYERPASDPHOS-SECBINFHSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid (CID 26722586) is (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid is CCN1CCC[C@@](C)(C(=O)O)C1.
What is the InChIKey of (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid?
The InChIKey is XRUYERPASDPHOS-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-6-4-5-9(2,7-10)8(11)12/h3-7H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid?
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 26722586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).