tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C13H25NO5 — CID 86617883

IUPACtert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-12(2,3)18-10(16)14(8-7-9-15)11(17)19-13(4,5)6/h15H,7-9H2,1-6H3
InChIKeyOHUHJOQGBBBLLU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 86617883) has the molecular formula C13H25NO5 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID86617883
Molecular FormulaC13H25NO5
Molecular Weight275.35 g/mol
Exact Mass275.17
IUPAC Nametert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-12(2,3)18-10(16)14(8-7-9-15)11(17)19-13(4,5)6/h15H,7-9H2,1-6H3
InChIKeyOHUHJOQGBBBLLU-UHFFFAOYSA-N
XLogP2.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 10583745
N-Boc-diethanolamine
CID 4360601
tert-Butyl (3-hydroxypropyl)methylcarbamate
CID 10375241
tert-Butyl (4-hydroxybutyl)(methyl)carbamate
CID 14854943
1-Boc-3-fluoroazetidine-3-methanol
CID 25260281
tert-butyl N-(3-hydroxypropyl)-N-(propan-2-yl)carbamate
CID 11672972
tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate
CID 19369009
Tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate
CID 24801405
tert-Butyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 70700778
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-[(2S)-2-hydroxypropyl]-N-methylcarbamate
CID 94403789
tert-butyl N-[(2R)-2-hydroxybutyl]-N-methylcarbamate
CID 122643648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 86617883) is tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(CCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is OHUHJOQGBBBLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-12(2,3)18-10(16)14(8-7-9-15)11(17)19-13(4,5)6/h15H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 86617883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).