1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid

C13H24N2O3 — CID 104597337

IUPAC1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCC(C)(CN)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-12(2,9-14)10(16)15-8-6-5-7-13(15,3)11(17)18/h4-9,14H2,1-3H3,(H,17,18)
InChIKeyYBHHXWLWLHWYRT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds4

About 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597337) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597337
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCC(C)(CN)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-12(2,9-14)10(16)15-8-6-5-7-13(15,3)11(17)18/h4-9,14H2,1-3H3,(H,17,18)
InChIKeyYBHHXWLWLHWYRT-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597337) is 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid is CCC(C)(CN)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is YBHHXWLWLHWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-12(2,9-14)10(16)15-8-6-5-7-13(15,3)11(17)18/h4-9,14H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).