tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate

C13H26N2O3 — CID 83178088

IUPACtert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
SMILESCC(CCO)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-9(5-6-16)14-10-7-11(8-10)15-12(17)18-13(2,3)4/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyQRHILYYMPWJAAZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.40
Rot. Bonds5

About tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate (PubChem CID 83178088) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
PubChem CID83178088
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
SMILESCC(CCO)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-9(5-6-16)14-10-7-11(8-10)15-12(17)18-13(2,3)4/h9-11,14,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyQRHILYYMPWJAAZ-UHFFFAOYSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
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CID 80562119
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
CID 80560744
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate
CID 106226389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate (CID 83178088) is tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate is CC(CCO)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
The InChIKey is QRHILYYMPWJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(5-6-16)14-10-7-11(8-10)15-12(17)18-13(2,3)4/h9-11,14,16H,5-8H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 83178088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).