tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate

C14H28N2O3 — CID 176665923

IUPACtert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate
SMILESC[C@@H]1CNC[C@H](CCCCNC(=O)OC(C)(C)C)O1
InChIInChI=1S/C14H28N2O3/c1-11-9-15-10-12(18-11)7-5-6-8-16-13(17)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyYUPXFBNNQYOKKM-NEPJUHHUSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate

tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate (PubChem CID 176665923) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate
PubChem CID176665923
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate
SMILESC[C@@H]1CNC[C@H](CCCCNC(=O)OC(C)(C)C)O1
InChIInChI=1S/C14H28N2O3/c1-11-9-15-10-12(18-11)7-5-6-8-16-13(17)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyYUPXFBNNQYOKKM-NEPJUHHUSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate
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tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
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tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
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tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
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CID 87263201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate (CID 176665923) is tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate is C[C@@H]1CNC[C@H](CCCCNC(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate?
The InChIKey is YUPXFBNNQYOKKM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-9-15-10-12(18-11)7-5-6-8-16-13(17)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate?
tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2S,6R)-6-methylmorpholin-2-yl]butyl]carbamate is sourced from PubChem (CID 176665923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).