tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate

C18H36N2O6 — CID 11079337

IUPACtert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H](O)CC[C@H](O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O6/c1-11(19-15(23)25-17(3,4)5)13(21)9-10-14(22)12(2)20-16(24)26-18(6,7)8/h11-14,21-22H,9-10H2,1-8H3,(H,19,23)(H,20,24)/t11-,12-,13-,14+/m0/s1
InChIKeyHYOVBLCQXLHCKX-XDQVBPFNSA-N
MW376.49 g/mol
LogP2.31
Rot. Bonds7

About tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate

tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate (PubChem CID 11079337) has the molecular formula C18H36N2O6 and a molecular weight of 376.49 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
PubChem CID11079337
Molecular FormulaC18H36N2O6
Molecular Weight376.49 g/mol
Exact Mass376.26
IUPAC Nametert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H](O)CC[C@H](O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O6/c1-11(19-15(23)25-17(3,4)5)13(21)9-10-14(22)12(2)20-16(24)26-18(6,7)8/h11-14,21-22H,9-10H2,1-8H3,(H,19,23)(H,20,24)/t11-,12-,13-,14+/m0/s1
InChIKeyHYOVBLCQXLHCKX-XDQVBPFNSA-N
XLogP2.31
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
tert-butyl N-[(2S,3S)-3-hydroxypentan-2-yl]carbamate;ethane;molecular hydrogen
CID 144591557
S-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] ethanethioate
CID 85393804
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
tert-butyl N-(1-cyano-1-hydroxypropan-2-yl)carbamate
CID 545704

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate (CID 11079337) is tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CC[C@H](O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate?
The InChIKey is HYOVBLCQXLHCKX-XDQVBPFNSA-N. The full InChI is InChI=1S/C18H36N2O6/c1-11(19-15(23)25-17(3,4)5)13(21)9-10-14(22)12(2)20-16(24)26-18(6,7)8/h11-14,21-22H,9-10H2,1-8H3,(H,19,23)(H,20,24)/t11-,12-,13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate?
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate has a molecular weight of 376.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate is sourced from PubChem (CID 11079337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).