1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid

C13H22N2O5 — CID 115918685

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
SMILESCC(C)(C)NC(=O)CN1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)14-10(16)7-15-5-4-8(11(17)18)9(6-15)12(19)20/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H,19,20)
InChIKeyQNEHNLZYVLQSNG-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.01
Rot. Bonds4

About 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid

1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid (PubChem CID 115918685) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
PubChem CID115918685
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
SMILESCC(C)(C)NC(=O)CN1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)14-10(16)7-15-5-4-8(11(17)18)9(6-15)12(19)20/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H,19,20)
InChIKeyQNEHNLZYVLQSNG-UHFFFAOYSA-N
XLogP0.01
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
CID 99786847
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
CID 129033915
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
1-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 120679249
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-(3-methoxyazetidin-1-yl)acetamide
CID 129033912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid (CID 115918685) is 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid is CC(C)(C)NC(=O)CN1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is QNEHNLZYVLQSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)14-10(16)7-15-5-4-8(11(17)18)9(6-15)12(19)20/h8-9H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H,19,20).
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid?
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).