tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate

C15H23FN2O4 — CID 154985438

IUPACtert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate
SMILESCOCC[C@@H](c1cnc(C)c(F)c1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23FN2O4/c1-10-12(16)8-11(9-17-10)13(6-7-21-5)18(20)14(19)22-15(2,3)4/h8-9,13,20H,6-7H2,1-5H3/t13-/m0/s1
InChIKeyDBGMATRXLAGTRI-ZDUSSCGKSA-N
MW314.36 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate

tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate (PubChem CID 154985438) has the molecular formula C15H23FN2O4 and a molecular weight of 314.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate
PubChem CID154985438
Molecular FormulaC15H23FN2O4
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate
SMILESCOCC[C@@H](c1cnc(C)c(F)c1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23FN2O4/c1-10-12(16)8-11(9-17-10)13(6-7-21-5)18(20)14(19)22-15(2,3)4/h8-9,13,20H,6-7H2,1-5H3/t13-/m0/s1
InChIKeyDBGMATRXLAGTRI-ZDUSSCGKSA-N
XLogP3.23
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(3,5-difluorophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 155250734
tert-butyl N-hydroxy-N-[3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)propyl]carbamate
CID 162376612
tert-butyl N-[1-(4-cyanophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 129188716
tert-butyl N-hydroxy-N-(3-hydroxy-1-imidazo[1,2-a]pyridin-6-ylpropyl)carbamate
CID 162376290
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855208
tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
CID 163278312
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
tert-butyl N-(4-fluoro-5-iodo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163238627
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
CID 156580264
tert-butyl N-[(4-bromo-5-fluoro-2-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134191898
tert-butyl N-(4-fluoro-1-methylisoquinolin-5-yl)-N-methylcarbamate
CID 154693219
tert-butyl N-[[5-amino-3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]-N-methylcarbamate
CID 118101215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate (CID 154985438) is tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate is COCC[C@@H](c1cnc(C)c(F)c1)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate?
The InChIKey is DBGMATRXLAGTRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23FN2O4/c1-10-12(16)8-11(9-17-10)13(6-7-21-5)18(20)14(19)22-15(2,3)4/h8-9,13,20H,6-7H2,1-5H3/t13-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate?
tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate has a molecular weight of 314.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-fluoro-6-methyl-3-pyridinyl)-3-methoxypropyl]-N-hydroxycarbamate is sourced from PubChem (CID 154985438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).