tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate

C13H19F2N3O2 — CID 172594101

IUPACtert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC(F)F)c1cncc(N)c1
InChIInChI=1S/C13H19F2N3O2/c1-13(2,3)20-12(19)18-10(5-11(14)15)8-4-9(16)7-17-6-8/h4,6-7,10-11H,5,16H2,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyFAPHNPLUWXQUFT-JTQLQIEISA-N
MW287.31 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate

tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate (PubChem CID 172594101) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate
PubChem CID172594101
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Nametert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC(F)F)c1cncc(N)c1
InChIInChI=1S/C13H19F2N3O2/c1-13(2,3)20-12(19)18-10(5-11(14)15)8-4-9(16)7-17-6-8/h4,6-7,10-11H,5,16H2,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyFAPHNPLUWXQUFT-JTQLQIEISA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]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-[1-[5-(benzhydrylideneamino)-3-pyridinyl]-3,3-difluoropropyl]carbamate
CID 172594102
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(2-phenylethynyl)-3-pyridinyl]propanoic acid
CID 10785112
tert-butyl N-[(1S)-1-[5-(2-amino-4-cyanophenyl)-3-pyridinyl]but-3-enyl]carbamate
CID 118280006
tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate
CID 146165264
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 2761784
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[(1R)-1-(4-aminophenyl)-2,2-difluoroethyl]carbamate
CID 175666923
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
(2R,3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 125457446
tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265
tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
CID 76845177

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate (CID 172594101) is tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC(F)F)c1cncc(N)c1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate?
The InChIKey is FAPHNPLUWXQUFT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-13(2,3)20-12(19)18-10(5-11(14)15)8-4-9(16)7-17-6-8/h4,6-7,10-11H,5,16H2,1-3H3,(H,18,19)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate?
tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate has a molecular weight of 287.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-amino-3-pyridinyl)-3,3-difluoropropyl]carbamate is sourced from PubChem (CID 172594101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).