tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate

C14H22N4O7 — CID 46192886

IUPACtert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O
InChIInChI=1S/C14H22N4O7/c1-14(2,3)25-13(23)15-6-9(19)16-8-4-5-11(21)18(12(8)22)7-10(20)17-24/h8,24H,4-7H2,1-3H3,(H,15,23)(H,16,19)(H,17,20)/t8-/m0/s1
InChIKeyCAKTYZDHTXDXCH-QMMMGPOBSA-N
MW358.35 g/mol
LogP-1.35
Rot. Bonds5

About tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate (PubChem CID 46192886) has the molecular formula C14H22N4O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate
PubChem CID46192886
Molecular FormulaC14H22N4O7
Molecular Weight358.35 g/mol
Exact Mass358.15
IUPAC Nametert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O
InChIInChI=1S/C14H22N4O7/c1-14(2,3)25-13(23)15-6-9(19)16-8-4-5-11(21)18(12(8)22)7-10(20)17-24/h8,24H,4-7H2,1-3H3,(H,15,23)(H,16,19)(H,17,20)/t8-/m0/s1
InChIKeyCAKTYZDHTXDXCH-QMMMGPOBSA-N
XLogP-1.35
TPSA154.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate
CID 129143522
(2S,3S)-2-amino-N-[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-3-methylpentanamide;hydrochloride
CID 46193020
tert-butyl N-[2-[[2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 68993020
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
CID 144975524
benzyl 2-[(3S)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2,6-dioxopiperidin-1-yl]acetate
CID 46192464
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate
CID 166452034
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
CID 167260928
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
CID 141436704
tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
CID 140814395
ethyl 2-[(3S)-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2,6-dioxopiperidin-1-yl]acetate
CID 46192196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate (CID 46192886) is tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O.
What is the InChIKey of tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is CAKTYZDHTXDXCH-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H22N4O7/c1-14(2,3)25-13(23)15-6-9(19)16-8-4-5-11(21)18(12(8)22)7-10(20)17-24/h8,24H,4-7H2,1-3H3,(H,15,23)(H,16,19)(H,17,20)/t8-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 358.35 g/mol, XLogP of -1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 46192886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).