tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate

C17H34N2O5 — CID 59280268

IUPACtert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
SMILESCOC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O5/c1-16(2,3)23-14(20)18-11-9-8-10-13(12-22-7)19-15(21)24-17(4,5)6/h13H,8-12H2,1-7H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyFXSPIMZOMUPOEG-ZDUSSCGKSA-N
MW346.47 g/mol
LogP3.22
Rot. Bonds8

About tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate

tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate (PubChem CID 59280268) has the molecular formula C17H34N2O5 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
PubChem CID59280268
Molecular FormulaC17H34N2O5
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC Nametert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
SMILESCOC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O5/c1-16(2,3)23-14(20)18-11-9-8-10-13(12-22-7)19-15(21)24-17(4,5)6/h13H,8-12H2,1-7H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyFXSPIMZOMUPOEG-ZDUSSCGKSA-N
XLogP3.22
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate (CID 59280268) is tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate is COC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate?
The InChIKey is FXSPIMZOMUPOEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H34N2O5/c1-16(2,3)23-14(20)18-11-9-8-10-13(12-22-7)19-15(21)24-17(4,5)6/h13H,8-12H2,1-7H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate?
tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate has a molecular weight of 346.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate is sourced from PubChem (CID 59280268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).