1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid

C13H22N2O4 — CID 43171038

IUPAC1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-7-10(16)15-6-4-5-9(8-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyIZZNRGFUTUPCLD-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds3

About 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid

1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 43171038) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID43171038
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-7-10(16)15-6-4-5-9(8-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyIZZNRGFUTUPCLD-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid (CID 43171038) is 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid is CC(C)(C)C(=O)NCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is IZZNRGFUTUPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-7-10(16)15-6-4-5-9(8-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid?
1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43171038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).