4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine

C19H38F2N2O5 — CID 158068360

IUPAC4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine
SMILESC.CC(=O)C(O)C(N)CC1CCC1.COC(=O)C(O)C(N)CC1CCC1.FF
InChIInChI=1S/C9H17NO3.C9H17NO2.CH4.F2/c1-13-9(12)8(11)7(10)5-6-3-2-4-6;1-6(11)9(12)8(10)5-7-3-2-4-7;;1-2/h6-8,11H,2-5,10H2,1H3;7-9,12H,2-5,10H2,1H3;1H4;
InChIKeyFLMYGPYMSWHRKL-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.97
Rot. Bonds8

About 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine

4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine (PubChem CID 158068360) has the molecular formula C19H38F2N2O5 and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine.

Molecular Properties

Compound Name4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine
PubChem CID158068360
Molecular FormulaC19H38F2N2O5
Molecular Weight412.52 g/mol
Exact Mass412.27
IUPAC Name4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine
SMILESC.CC(=O)C(O)C(N)CC1CCC1.COC(=O)C(O)C(N)CC1CCC1.FF
InChIInChI=1S/C9H17NO3.C9H17NO2.CH4.F2/c1-13-9(12)8(11)7(10)5-6-3-2-4-6;1-6(11)9(12)8(10)5-7-3-2-4-7;;1-2/h6-8,11H,2-5,10H2,1H3;7-9,12H,2-5,10H2,1H3;1H4;
InChIKeyFLMYGPYMSWHRKL-UHFFFAOYSA-N
XLogP1.97
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine with MolForge

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Related Compounds

dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl 3-cyclobutyl-2-fluoropropanoate
CID 105431407
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;methyl 3-amino-4-cyclopropyl-2-hydroxybutanoate;hydrochloride
CID 159683412
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
CID 70065085
methyl (2R,3S)-3-amino-5,5-difluoro-2-hydroxypentanoate;hydrochloride
CID 87591230
methyl (2S,3S)-3-amino-2-azido-4-cyclohexylbutanoate;hydrochloride
CID 18631415
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
(3R,4R)-5-cyclobutyl-3-hydroxy-4-nitropentan-2-one
CID 59318581

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine?
The IUPAC name of 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine (CID 158068360) is 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine.
What is the SMILES notation for 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine?
The canonical SMILES for 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine is C.CC(=O)C(O)C(N)CC1CCC1.COC(=O)C(O)C(N)CC1CCC1.FF.
What is the InChIKey of 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine?
The InChIKey is FLMYGPYMSWHRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C9H17NO2.CH4.F2/c1-13-9(12)8(11)7(10)5-6-3-2-4-6;1-6(11)9(12)8(10)5-7-3-2-4-7;;1-2/h6-8,11H,2-5,10H2,1H3;7-9,12H,2-5,10H2,1H3;1H4;.
What are the key properties of 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine?
4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine has a molecular weight of 412.52 g/mol, XLogP of 1.97, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine is sourced from PubChem (CID 158068360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).