tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate

C11H21NO3 — CID 91462214

IUPACtert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
SMILESCC(C)=C(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)9(13)7-12(6)10(14)15-11(3,4)5/h13H,7H2,1-6H3
InChIKeyXNFLQTHCATWYMB-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate

tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate (PubChem CID 91462214) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
PubChem CID91462214
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
SMILESCC(C)=C(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)9(13)7-12(6)10(14)15-11(3,4)5/h13H,7H2,1-6H3
InChIKeyXNFLQTHCATWYMB-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate 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

dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate
CID 174761094
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
tert-butyl N-(2-amino-2-iminoethyl)-N-methylcarbamate;hydrochloride
CID 126812317
tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
CID 162367936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate (CID 91462214) is tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate is CC(C)=C(O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate?
The InChIKey is XNFLQTHCATWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)9(13)7-12(6)10(14)15-11(3,4)5/h13H,7H2,1-6H3.
What are the key properties of tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate?
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate is sourced from PubChem (CID 91462214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).