tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate

C15H23FN2O2 — CID 146165264

IUPACtert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)c1ccnc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-10(2)8-12(11-6-7-17-13(16)9-11)18-14(19)20-15(3,4)5/h6-7,9-10,12H,8H2,1-5H3,(H,18,19)/t12-/m0/s1
InChIKeyCUQHKYLBQYDLLI-LBPRGKRZSA-N
MW282.36 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate

tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate (PubChem CID 146165264) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate
PubChem CID146165264
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)c1ccnc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-10(2)8-12(11-6-7-17-13(16)9-11)18-14(19)20-15(3,4)5/h6-7,9-10,12H,8H2,1-5H3,(H,18,19)/t12-/m0/s1
InChIKeyCUQHKYLBQYDLLI-LBPRGKRZSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]carbamate
CID 59278290
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
CID 16663835
tert-butyl N-[2-[(2-fluoro-4-pyridinyl)methyl]butyl]carbamate
CID 139378135
tert-butyl N-[(2S)-1-[4-(2-amino-4-pyridinyl)-2-fluorophenoxy]-4-methylpentan-2-yl]carbamate
CID 140845652
tert-butyl N-[1-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-3-methylbutyl]carbamate
CID 75240537
[1-[[3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutyl]boronic acid
CID 75306545
tert-butyl N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]carbamate
CID 125041772
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[1-[5-(bromomethyl)-1,2-oxazol-3-yl]-3-methylbutyl]carbamate
CID 20610322
[(2R)-4-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl] acetate
CID 154715058
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
3-(3,5-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10542305

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate (CID 146165264) is tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)c1ccnc(F)c1.
What is the InChIKey of tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate?
The InChIKey is CUQHKYLBQYDLLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)8-12(11-6-7-17-13(16)9-11)18-14(19)20-15(3,4)5/h6-7,9-10,12H,8H2,1-5H3,(H,18,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate?
tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate has a molecular weight of 282.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate is sourced from PubChem (CID 146165264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).