1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid

C14H25N3O4 — CID 114426567

IUPAC1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(CC(=O)NC(=O)NC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-9-5-6-17(10(7-9)12(19)20)8-11(18)15-13(21)16-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,20)(H2,15,16,18,21)
InChIKeyNCKDRPHVIJHXDU-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid

1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426567) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426567
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(CC(=O)NC(=O)NC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-9-5-6-17(10(7-9)12(19)20)8-11(18)15-13(21)16-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,20)(H2,15,16,18,21)
InChIKeyNCKDRPHVIJHXDU-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 114426521
1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426797
N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787643
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
N-(tert-butylcarbamoyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999296
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-(cyanomethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426250
1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidine-2-carboxylic acid
CID 114422164
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
CID 61236323
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid (CID 114426567) is 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(CC(=O)NC(=O)NC(C)(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is NCKDRPHVIJHXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9-5-6-17(10(7-9)12(19)20)8-11(18)15-13(21)16-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).