[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium

C17H32N3O4+ — CID 8768274

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H31N3O4/c1-6-24-16(23)13-9-7-8-10-20(13)15(22)12-19(5)11-14(21)18-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyUABXBXIBTSUVJE-ZDUSSCGKSA-O
MW342.46 g/mol
LogP-0.64
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium (PubChem CID 8768274) has the molecular formula C17H32N3O4+ and a molecular weight of 342.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium
PubChem CID8768274
Molecular FormulaC17H32N3O4+
Molecular Weight342.46 g/mol
Exact Mass342.24
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H31N3O4/c1-6-24-16(23)13-9-7-8-10-20(13)15(22)12-19(5)11-14(21)18-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyUABXBXIBTSUVJE-ZDUSSCGKSA-O
XLogP-0.64
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-2-carboxylate
CID 55432116
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylate
CID 78991952
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium (CID 8768274) is [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium is CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
The InChIKey is UABXBXIBTSUVJE-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H31N3O4/c1-6-24-16(23)13-9-7-8-10-20(13)15(22)12-19(5)11-14(21)18-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,21)/p+1/t13-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium has a molecular weight of 342.46 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).