tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate

C11H23NO4 — CID 105492969

IUPACtert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
SMILESCC(C)CC(CO)ONC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-8(2)6-9(7-13)16-12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyIFNTUKVFXJXXRE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds5

About tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate

tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate (PubChem CID 105492969) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
PubChem CID105492969
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
SMILESCC(C)CC(CO)ONC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-8(2)6-9(7-13)16-12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyIFNTUKVFXJXXRE-UHFFFAOYSA-N
XLogP1.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-aminopentan-2-yloxy)carbamate
CID 105472725
tert-butyl 2-(hydroxymethyl)-4-methylpentanoate
CID 86048935
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
tert-butyl N-[(2R,3S)-1-amino-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57207813
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate
CID 105489498
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
tert-butyl N-[(3R)-5-methyl-1,2-dioxohexan-3-yl]carbamate
CID 10776618
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate (CID 105492969) is tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate is CC(C)CC(CO)ONC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate?
The InChIKey is IFNTUKVFXJXXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-8(2)6-9(7-13)16-12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate?
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate has a molecular weight of 233.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate is sourced from PubChem (CID 105492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).