tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate

C17H33N3O5 — CID 58981734

IUPACtert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CNC(=O)N1CCOCC1
InChIInChI=1S/C17H33N3O5/c1-5-6-7-13(19-16(23)25-17(2,3)4)14(21)12-18-15(22)20-8-10-24-11-9-20/h13-14,21H,5-12H2,1-4H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
InChIKeySIGVAUZUQVLZHN-KBPBESRZSA-N
MW359.47 g/mol
LogP1.47
Rot. Bonds7

About tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate

tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate (PubChem CID 58981734) has the molecular formula C17H33N3O5 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate
PubChem CID58981734
Molecular FormulaC17H33N3O5
Molecular Weight359.47 g/mol
Exact Mass359.24
IUPAC Nametert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CNC(=O)N1CCOCC1
InChIInChI=1S/C17H33N3O5/c1-5-6-7-13(19-16(23)25-17(2,3)4)14(21)12-18-15(22)20-8-10-24-11-9-20/h13-14,21H,5-12H2,1-4H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
InChIKeySIGVAUZUQVLZHN-KBPBESRZSA-N
XLogP1.47
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate with MolForge

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Related Compounds

[(2S)-3,3-dimethyl-1-[3-(4-methylphenyl)pyrazol-1-yl]butan-2-yl] N-[(2R,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate
CID 158025001
[(2S)-3,3-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] N-[(2R,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate
CID 71164605
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(4S,5S)-5-hydroxy-2-methylnonan-4-yl]carbamate
CID 91698916
tert-butyl 4-(morpholine-4-carbonylamino)butanoate
CID 159703563
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
CID 21016958
[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 68663892
tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-morpholin-4-yl-4-oxobutan-2-yl]carbamate
CID 86741927
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate (CID 58981734) is tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate is CCCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CNC(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate?
The InChIKey is SIGVAUZUQVLZHN-KBPBESRZSA-N. The full InChI is InChI=1S/C17H33N3O5/c1-5-6-7-13(19-16(23)25-17(2,3)4)14(21)12-18-15(22)20-8-10-24-11-9-20/h13-14,21H,5-12H2,1-4H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate?
tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-2-hydroxy-1-(morpholine-4-carbonylamino)heptan-3-yl]carbamate is sourced from PubChem (CID 58981734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).