1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid

C12H22N2O3 — CID 79257373

IUPAC1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-7-10(15)14-6-4-5-9(8-14)11(16)17/h9,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyOSLKTCRNTUTFFL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds3

About 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid

1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 79257373) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID79257373
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-7-10(15)14-6-4-5-9(8-14)11(16)17/h9,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyOSLKTCRNTUTFFL-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
(3S)-1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 81126040
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(tert-butylamino)ethanone
CID 113220942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid (CID 79257373) is 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid is CC(C)(C)NCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is OSLKTCRNTUTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)13-7-10(15)14-6-4-5-9(8-14)11(16)17/h9,13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid?
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 79257373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).