tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate

C18H36N2O4 — CID 113479100

IUPACtert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NCC(C)(C)CCO
InChIInChI=1S/C18H36N2O4/c1-14(19-13-18(5,6)7-9-21)11-15-12-23-10-8-20(15)16(22)24-17(2,3)4/h14-15,19,21H,7-13H2,1-6H3
InChIKeyWMKPMKQJCQZOSG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.40
Rot. Bonds7

About tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate

tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate (PubChem CID 113479100) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
PubChem CID113479100
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC Nametert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NCC(C)(C)CCO
InChIInChI=1S/C18H36N2O4/c1-14(19-13-18(5,6)7-9-21)11-15-12-23-10-8-20(15)16(22)24-17(2,3)4/h14-15,19,21H,7-13H2,1-6H3
InChIKeyWMKPMKQJCQZOSG-UHFFFAOYSA-N
XLogP2.40
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-[3-(dimethylamino)propylamino]propyl]morpholine-4-carboxylate
CID 104855230
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104864436
tert-butyl 3-[2-(4-methylsulfanylbutylamino)propyl]morpholine-4-carboxylate
CID 104866010
tert-butyl 3-[2-(3-ethenoxypropylamino)propyl]morpholine-4-carboxylate
CID 104855238
tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104855288

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate (CID 113479100) is tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate is CC(CC1COCCN1C(=O)OC(C)(C)C)NCC(C)(C)CCO.
What is the InChIKey of tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate?
The InChIKey is WMKPMKQJCQZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-14(19-13-18(5,6)7-9-21)11-15-12-23-10-8-20(15)16(22)24-17(2,3)4/h14-15,19,21H,7-13H2,1-6H3.
What are the key properties of tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate has a molecular weight of 344.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate is sourced from PubChem (CID 113479100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).