tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate

C17H33N3O4 — CID 121401219

IUPACtert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C17H33N3O4/c1-17(2,3)24-16(21)18-15(14-20-8-12-23-13-9-20)4-5-19-6-10-22-11-7-19/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyRMNZCGKGFUDCFI-OAHLLOKOSA-N
MW343.47 g/mol
LogP0.93
Rot. Bonds6

About tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate (PubChem CID 121401219) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
PubChem CID121401219
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C17H33N3O4/c1-17(2,3)24-16(21)18-15(14-20-8-12-23-13-9-20)4-5-19-6-10-22-11-7-19/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyRMNZCGKGFUDCFI-OAHLLOKOSA-N
XLogP0.93
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5S)-tert-butyl 2-methyl-5-(((R)-3-methylmorpholino)methyl)piperazine-1-carboxylate
CID 70980298
tert-butyl (2R,5S)-5-[[(3S)-3-(difluoromethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 163469433
Tert-butyl[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]carbamate
CID 9970422
(1-Methyl-2-morpholin-4-yl-ethyl)-carbamic acid tert-butyl ester
CID 15326463
1,1-Dimethylethyl 4-[bis[2-[[(butylamino)carbonyl]oxy]ethyl]amino]-1-piperidinecarboxylate
CID 15734714
tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate
CID 18387914
t-butyl N-(2-morpholinopropyl)carbamate
CID 18948440
Tert-butyl 4-(morpholin-2-ylmethyl)piperazine-1-carboxylate
CID 23079694
tert-Butyl 1-(morpholine-4-carbonyl)piperidin-4-ylcarbamate
CID 53256233
tert-Butyl 3-oxa-7,9-diazabicyclo(3.3.1)nonane-7-carboxylate
CID 53415349
tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 57632455
tert-butyl (2S)-2-(piperazin-1-ylmethyl)morpholine-4-carboxylate
CID 57656721

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate (CID 121401219) is tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CCN1CCOCC1)CN1CCOCC1.
What is the InChIKey of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
The InChIKey is RMNZCGKGFUDCFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-17(2,3)24-16(21)18-15(14-20-8-12-23-13-9-20)4-5-19-6-10-22-11-7-19/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate has a molecular weight of 343.47 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate is sourced from PubChem (CID 121401219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).