tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate

C17H24FNO3 — CID 156785102

IUPACtert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate
SMILESCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1C
InChIInChI=1S/C17H24FNO3/c1-6-8-14(19-16(21)22-17(3,4)5)15(20)12-9-7-10-13(18)11(12)2/h7,9-10,14H,6,8H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyVVGMDDCLINRBMY-CQSZACIVSA-N
MW309.38 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate (PubChem CID 156785102) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate
PubChem CID156785102
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate
SMILESCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1C
InChIInChI=1S/C17H24FNO3/c1-6-8-14(19-16(21)22-17(3,4)5)15(20)12-9-7-10-13(18)11(12)2/h7,9-10,14H,6,8H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyVVGMDDCLINRBMY-CQSZACIVSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139886108
3-[(2,6-difluorophenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 104984956
tert-butyl N-[(2S)-6-amino-1-(2-benzoylphenyl)-1-oxohexan-2-yl]carbamate
CID 162773275
4-[2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170156912
ethyl (2R)-5-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 10545741
tert-butyl N-[1-(4-chloro-2-fluorophenyl)-1-oxo-5-phenylpentan-2-yl]carbamate
CID 58783803
ethyl 5-(5-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 175095640
tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 173331106
(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7020831
(2R)-3-(2-chloro-6-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 165350711
tert-butyl 2-[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-6-[(dodecylamino)methyl]benzoate
CID 118513303

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate (CID 156785102) is tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate is CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1C.
What is the InChIKey of tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate?
The InChIKey is VVGMDDCLINRBMY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-6-8-14(19-16(21)22-17(3,4)5)15(20)12-9-7-10-13(18)11(12)2/h7,9-10,14H,6,8H2,1-5H3,(H,19,21)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate has a molecular weight of 309.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 156785102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).