2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate

C11H23NO5 — CID 90811651

IUPAC2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate
SMILESCOCC(CO)OCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO5/c1-11(2,3)12-10(14)17-6-5-16-9(7-13)8-15-4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyUQZZICAMCLYIBW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.54
Rot. Bonds7

About 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate

2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate (PubChem CID 90811651) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate
PubChem CID90811651
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate
SMILESCOCC(CO)OCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO5/c1-11(2,3)12-10(14)17-6-5-16-9(7-13)8-15-4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyUQZZICAMCLYIBW-UHFFFAOYSA-N
XLogP0.54
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-(-)-tert-butyl 1-hydroxypropan-2-yl carbamate
CID 118237081
(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
CID 175189297
propan-2-yl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 81965123
Tert-butyl [2-(2-hydroxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645524
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
CID 87194647
[(2S)-1-hydroxy-4-methoxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 87303099
(1-hydroxy-4-methoxy-4-methylpentan-2-yl) N-tert-butylcarbamate
CID 87303100
tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
CID 88902282
2-hydroxypropyl N-tert-butylcarbamate
CID 90220528
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate
CID 90732491
2-(1,3-dimethoxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 90750625
[(2R)-2,3-dihydroxypropyl] N-tert-butylcarbamate
CID 90801381

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate?
The IUPAC name of 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate (CID 90811651) is 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate is COCC(CO)OCCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate?
The InChIKey is UQZZICAMCLYIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-11(2,3)12-10(14)17-6-5-16-9(7-13)8-15-4/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate?
2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate is sourced from PubChem (CID 90811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).