tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate

C12H25NO4 — CID 87529067

IUPACtert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
SMILESCCOC(C)(C)C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-7-16-12(5,6)9(8-14)13-10(15)17-11(2,3)4/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyCWJCMIMATHWQMS-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.69
Rot. Bonds5

About tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate

tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate (PubChem CID 87529067) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
PubChem CID87529067
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
SMILESCCOC(C)(C)C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-7-16-12(5,6)9(8-14)13-10(15)17-11(2,3)4/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyCWJCMIMATHWQMS-UHFFFAOYSA-N
XLogP1.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylhex-5-en-2-yl]carbamate
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tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
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methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
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tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
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tert-butyl N-[(2S)-1-ethoxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;sulfane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate (CID 87529067) is tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate is CCOC(C)(C)C(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate?
The InChIKey is CWJCMIMATHWQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-7-16-12(5,6)9(8-14)13-10(15)17-11(2,3)4/h9,14H,7-8H2,1-6H3,(H,13,15).
What are the key properties of tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate?
tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate has a molecular weight of 247.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 87529067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).