tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate

C9H19NO3 — CID 23292073

IUPACtert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
SMILESCC(C)C(O)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-6(2)7(11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)
InChIKeyQIPUTXAAEACTKS-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate

tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate (PubChem CID 23292073) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
PubChem CID23292073
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
SMILESCC(C)C(O)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-6(2)7(11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)
InChIKeyQIPUTXAAEACTKS-UHFFFAOYSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
CID 87884669
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2S,3S,4R)-1,2,3,4,6-pentahydroxy-5-oxohexyl]carbamate
CID 22824281
(2R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 126969835
(3R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87925903
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-1-hydroxy-1-iodo-3,3-dimethylbutan-2-yl]carbamate
CID 87726897
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate (CID 23292073) is tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate is CC(C)C(O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate?
The InChIKey is QIPUTXAAEACTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(2)7(11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12).
What are the key properties of tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate?
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate is sourced from PubChem (CID 23292073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).