tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate

C11H21NO4 — CID 105489498

IUPACtert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate
SMILESCC(C)(C)OC(=O)NOC(CO)C1CCC1
InChIInChI=1S/C11H21NO4/c1-11(2,3)15-10(14)12-16-9(7-13)8-5-4-6-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyUCMWKYNZDIAYMK-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.60
Rot. Bonds4

About tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate

tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate (PubChem CID 105489498) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate
PubChem CID105489498
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate
SMILESCC(C)(C)OC(=O)NOC(CO)C1CCC1
InChIInChI=1S/C11H21NO4/c1-11(2,3)15-10(14)12-16-9(7-13)8-5-4-6-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyUCMWKYNZDIAYMK-UHFFFAOYSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
CID 105492969
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate
CID 137364869
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate?
The IUPAC name of tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate (CID 105489498) is tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate is CC(C)(C)OC(=O)NOC(CO)C1CCC1.
What is the InChIKey of tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate?
The InChIKey is UCMWKYNZDIAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)15-10(14)12-16-9(7-13)8-5-4-6-8/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate?
tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclobutyl-2-hydroxyethoxy)carbamate is sourced from PubChem (CID 105489498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).