tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate

C13H25NO3 — CID 116861117

IUPACtert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CO)CC1CCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14(4)11(9-15)8-10-6-5-7-10/h10-11,15H,5-9H2,1-4H3
InChIKeyWOIOKXUFPMUUOT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate

tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate (PubChem CID 116861117) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
PubChem CID116861117
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CO)CC1CCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14(4)11(9-15)8-10-6-5-7-10/h10-11,15H,5-9H2,1-4H3
InChIKeyWOIOKXUFPMUUOT-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
CID 169096210
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-[(3R)-1-amino-3-cycloheptyl-3-hydroxypropyl]-N-methylcarbamate
CID 67188506
tert-butyl N-[(2S)-1-hydroxy-6-methoxyhexan-2-yl]-N-methylcarbamate
CID 142151936
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 58330029
tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
CID 69298750
tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate (CID 116861117) is tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(CO)CC1CCC1.
What is the InChIKey of tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate?
The InChIKey is WOIOKXUFPMUUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14(4)11(9-15)8-10-6-5-7-10/h10-11,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate?
tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate has a molecular weight of 243.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate is sourced from PubChem (CID 116861117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).