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

C13H22N2O4 — CID 43356114

IUPAC1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-8-10(16)15-7-5-4-6-9(15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyZMUJCJUCEMPZHG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds3

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

1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 43356114) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID43356114
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-8-10(16)15-7-5-4-6-9(15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyZMUJCJUCEMPZHG-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069679
4-[2-(2,2-dimethylpropanoylamino)acetyl]thiomorpholine-3-carboxylic acid
CID 78980264
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
(2S)-1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 13091071
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
CID 143581071
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61157492
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid (CID 43356114) is 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid is CC(C)(C)C(=O)NCC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is ZMUJCJUCEMPZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-8-10(16)15-7-5-4-6-9(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-2-carboxylic acid?
1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 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-2-carboxylic acid is sourced from PubChem (CID 43356114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).