2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid

C10H19NO2 — CID 83915224

IUPAC2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)C1CNC(C)C(C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-6(2)8-4-9(10(12)13)7(3)11-5-8/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyPYZSBYKWZFALIA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid

2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid (PubChem CID 83915224) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid
PubChem CID83915224
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)C1CNC(C)C(C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-6(2)8-4-9(10(12)13)7(3)11-5-8/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyPYZSBYKWZFALIA-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid (CID 83915224) is 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid is CC(C)C1CNC(C)C(C(=O)O)C1.
What is the InChIKey of 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is PYZSBYKWZFALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)8-4-9(10(12)13)7(3)11-5-8/h6-9,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid?
2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83915224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).