1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid

C13H24N2O3 — CID 106744699

IUPAC1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCC(C)NC(=O)CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H24N2O3/c1-4-9(2)14-12(16)8-15-6-5-11(13(17)18)7-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyILKLEJFUIQUBDU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid

1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744699) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744699
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCC(C)NC(=O)CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H24N2O3/c1-4-9(2)14-12(16)8-15-6-5-11(13(17)18)7-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyILKLEJFUIQUBDU-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
2-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxylic acid
CID 106744778
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
CID 106745125
2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371522
1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid (CID 106744699) is 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid is CCC(C)NC(=O)CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is ILKLEJFUIQUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9(2)14-12(16)8-15-6-5-11(13(17)18)7-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).