tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate

C8H17NO4 — CID 86028321

IUPACtert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(O)CCCO
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(11)9(12)5-4-6-10/h10,12H,4-6H2,1-3H3
InChIKeyWHOSAXWNMXNTIB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.00
Rot. Bonds3

About tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate

tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate (PubChem CID 86028321) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
PubChem CID86028321
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nametert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(O)CCCO
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(11)9(12)5-4-6-10/h10,12H,4-6H2,1-3H3
InChIKeyWHOSAXWNMXNTIB-UHFFFAOYSA-N
XLogP1.00
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-hydroxy-N-[5-(hydroxyamino)pentyl]carbamate
CID 54393838
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
ethyl 2-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86655973
tert-butyl N-[(3S)-3-aminobutyl]-N-(3-hydroxypropyl)carbamate
CID 58080924
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121383579
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 N-hydroxy-N-(5-methylhexa-3,4-dienyl)carbamate
CID 46186561

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate (CID 86028321) is tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)N(O)CCCO.
What is the InChIKey of tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate?
The InChIKey is WHOSAXWNMXNTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,3)13-7(11)9(12)5-4-6-10/h10,12H,4-6H2,1-3H3.
What are the key properties of tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate?
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate has a molecular weight of 191.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 86028321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).