1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid

C12H22N2O3 — CID 114085623

IUPAC1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC(CN)C(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(7-13)10(15)14-6-4-5-12(2,3)9(14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyJADLJDWUUUUQDW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds3

About 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid

1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 114085623) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID114085623
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC(CN)C(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(7-13)10(15)14-6-4-5-12(2,3)9(14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyJADLJDWUUUUQDW-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085633
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085230
3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114085275
3,3-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106283369
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 114085090
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one
CID 107219264
1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
CID 10728317
1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 106215867
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-(2-bromofuran-3-carbonyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085166

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid (CID 114085623) is 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid is CC(CN)C(=O)N1CCCC(C)(C)C1C(=O)O.
What is the InChIKey of 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is JADLJDWUUUUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(7-13)10(15)14-6-4-5-12(2,3)9(14)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid?
1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114085623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).