4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid

C14H26N2O3 — CID 114426521

IUPAC4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-14(3,4)15-12(17)9-16-7-6-10(2)8-11(16)13(18)19/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyAKKWMDHEIIPNBK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds5

About 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid

4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 114426521) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID114426521
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-14(3,4)15-12(17)9-16-7-6-10(2)8-11(16)13(18)19/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyAKKWMDHEIIPNBK-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426567
4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906097
1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426797
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
2-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713214

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 114426521) is 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid is CCC(C)(C)NC(=O)CN1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is AKKWMDHEIIPNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(3,4)15-12(17)9-16-7-6-10(2)8-11(16)13(18)19/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114426521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).