1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid

C14H26N2O3 — CID 114424633

IUPAC1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCC(CC)(CN)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-14(5-2,9-15)13(19)16-7-6-10(3)8-11(16)12(17)18/h10-11H,4-9,15H2,1-3H3,(H,17,18)
InChIKeyPVETYBSDXUFXCS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds5

About 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid

1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114424633) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114424633
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCCC(CC)(CN)C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-14(5-2,9-15)13(19)16-7-6-10(3)8-11(16)12(17)18/h10-11H,4-9,15H2,1-3H3,(H,17,18)
InChIKeyPVETYBSDXUFXCS-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
4-methyl-1-(2-methyl-2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 114421327
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148
1-[2-(aminomethyl)pentanoyl]-4-methylpiperidine-2-carboxylic acid
CID 113342421
1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114424736
4-methyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-2-carboxylic acid
CID 103309287
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid (CID 114424633) is 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid is CCC(CC)(CN)C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is PVETYBSDXUFXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(5-2,9-15)13(19)16-7-6-10(3)8-11(16)12(17)18/h10-11H,4-9,15H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114424633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).