tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate

C13H26N2O4 — CID 107257085

IUPACtert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
SMILESCC(O)CN(CCNC1COC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-10(16)7-15(12(17)19-13(2,3)4)6-5-14-11-8-18-9-11/h10-11,14,16H,5-9H2,1-4H3
InChIKeyOLYBOYOTCABJMJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.59
Rot. Bonds6

About tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate

tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate (PubChem CID 107257085) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
PubChem CID107257085
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
SMILESCC(O)CN(CCNC1COC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-10(16)7-15(12(17)19-13(2,3)4)6-5-14-11-8-18-9-11/h10-11,14,16H,5-9H2,1-4H3
InChIKeyOLYBOYOTCABJMJ-UHFFFAOYSA-N
XLogP0.59
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257285
tert-butyl N-(2-hydroxypropyl)-N-[2-(thiolan-3-ylamino)ethyl]carbamate
CID 107257189
tert-butyl N-(2-hydroxypropyl)-N-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 107257034
tert-butyl N-[2-[(5,5-dimethylthian-3-yl)amino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257212
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257160
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
CID 107257139
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate (CID 107257085) is tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate is CC(O)CN(CCNC1COC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate?
The InChIKey is OLYBOYOTCABJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(16)7-15(12(17)19-13(2,3)4)6-5-14-11-8-18-9-11/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate?
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 107257085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).