tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate

C14H28N4O6 — CID 59993765

IUPACtert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate
SMILESCOC(=O)NCCN(CCCNC(=O)CON)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N4O6/c1-14(2,3)24-13(21)18(9-7-17-12(20)22-4)8-5-6-16-11(19)10-23-15/h5-10,15H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyQHMCJLDMYHUWPU-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.02
Rot. Bonds9

About tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate

tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate (PubChem CID 59993765) has the molecular formula C14H28N4O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate
PubChem CID59993765
Molecular FormulaC14H28N4O6
Molecular Weight348.40 g/mol
Exact Mass348.20
IUPAC Nametert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate
SMILESCOC(=O)NCCN(CCCNC(=O)CON)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N4O6/c1-14(2,3)24-13(21)18(9-7-17-12(20)22-4)8-5-6-16-11(19)10-23-15/h5-10,15H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyQHMCJLDMYHUWPU-UHFFFAOYSA-N
XLogP-0.02
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxyethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 11849566
tert-butyl N,N-bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 11800012
tert-butyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 11411236
tert-butyl N-(4-aminobutyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 10995997
tert-butyl N-(4-hydroxybutyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 11237430
tert-butyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]pentanoate
CID 87552079
tert-butyl N-(3-aminopropyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 10958907
tert-butyl N-(3-aminopropyl)-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]octyl]amino]hexyl]carbamate
CID 11803452
tert-butyl N,N-bis[2-[(2-chloroacetyl)amino]ethyl]carbamate
CID 118895154
tert-butyl N-(2-cyanoethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 14701445
methyl N,N-bis[3-(methoxycarbonylamino)propyl]carbamate
CID 91748741
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butylsulfamoyl]acetate
CID 10648462

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate (CID 59993765) is tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate is COC(=O)NCCN(CCCNC(=O)CON)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate?
The InChIKey is QHMCJLDMYHUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O6/c1-14(2,3)24-13(21)18(9-7-17-12(20)22-4)8-5-6-16-11(19)10-23-15/h5-10,15H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate?
tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate has a molecular weight of 348.40 g/mol, XLogP of -0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-aminooxyacetyl)amino]propyl]-N-[2-(methoxycarbonylamino)ethyl]carbamate is sourced from PubChem (CID 59993765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).