tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate

C12H23NO3 — CID 22397314

IUPACtert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(8-5-9-14)10-6-4-7-10/h10,14H,4-9H2,1-3H3
InChIKeyBAVIZYUFRPZPQZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate

tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate (PubChem CID 22397314) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
PubChem CID22397314
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(8-5-9-14)10-6-4-7-10/h10,14H,4-9H2,1-3H3
InChIKeyBAVIZYUFRPZPQZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84812701
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate
CID 90205005
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321
2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 102867439
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate (CID 22397314) is tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)N(CCCO)C1CCC1.
What is the InChIKey of tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
The InChIKey is BAVIZYUFRPZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(8-5-9-14)10-6-4-7-10/h10,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 22397314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).