tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate

C15H29N3O4 — CID 174283241

IUPACtert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
SMILESCN(CCC(=O)C(N)CN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(4)6-5-13(19)12(16)11-18-7-9-21-10-8-18/h12H,5-11,16H2,1-4H3
InChIKeyDLUGRKXULCNGMT-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.47
Rot. Bonds6

About tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate

tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate (PubChem CID 174283241) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
PubChem CID174283241
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
SMILESCN(CCC(=O)C(N)CN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(4)6-5-13(19)12(16)11-18-7-9-21-10-8-18/h12H,5-11,16H2,1-4H3
InChIKeyDLUGRKXULCNGMT-UHFFFAOYSA-N
XLogP0.47
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
CID 165471531
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
CID 117242468
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 175702306
tert-butyl N-methyl-N-[3-(oxan-4-ylamino)but-3-enyl]carbamate
CID 154690472
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate (CID 174283241) is tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate is CN(CCC(=O)C(N)CN1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate?
The InChIKey is DLUGRKXULCNGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-15(2,3)22-14(20)17(4)6-5-13(19)12(16)11-18-7-9-21-10-8-18/h12H,5-11,16H2,1-4H3.
What are the key properties of tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate?
tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate has a molecular weight of 315.41 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate is sourced from PubChem (CID 174283241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).