tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate

C10H22N2O4 — CID 54393838

IUPACtert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate
SMILESCC(C)(C)OC(=O)N(O)CCCCCNO
InChIInChI=1S/C10H22N2O4/c1-10(2,3)16-9(13)12(15)8-6-4-5-7-11-14/h11,14-15H,4-8H2,1-3H3
InChIKeyVINURRBZGKMBGO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.76
Rot. Bonds6

About tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate

tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate (PubChem CID 54393838) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate
PubChem CID54393838
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Nametert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate
SMILESCC(C)(C)OC(=O)N(O)CCCCCNO
InChIInChI=1S/C10H22N2O4/c1-10(2,3)16-9(13)12(15)8-6-4-5-7-11-14/h11,14-15H,4-8H2,1-3H3
InChIKeyVINURRBZGKMBGO-UHFFFAOYSA-N
XLogP1.76
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321
tert-butyl N,N-bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 11800012
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
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-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-(3-aminopropyl)-N-[4-(methylamino)butyl]carbamate
CID 134854632
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl N-(6-bromohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10738534
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate (CID 54393838) is tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate is CC(C)(C)OC(=O)N(O)CCCCCNO.
What is the InChIKey of tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate?
The InChIKey is VINURRBZGKMBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-10(2,3)16-9(13)12(15)8-6-4-5-7-11-14/h11,14-15H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate?
tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate has a molecular weight of 234.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate is sourced from PubChem (CID 54393838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).