methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

C13H24FNO4 — CID 122703540

IUPACmethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO4/c1-12(2,3)19-11(17)15(6)9(10(16)18-7)8-13(4,5)14/h9H,8H2,1-7H3
InChIKeyWCEVUZMUNFAAGA-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.53
Rot. Bonds4

About methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 122703540) has the molecular formula C13H24FNO4 and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID122703540
Molecular FormulaC13H24FNO4
Molecular Weight277.34 g/mol
Exact Mass277.17
IUPAC Namemethyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO4/c1-12(2,3)19-11(17)15(6)9(10(16)18-7)8-13(4,5)14/h9H,8H2,1-7H3
InChIKeyWCEVUZMUNFAAGA-UHFFFAOYSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 122703540) is methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is COC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is WCEVUZMUNFAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO4/c1-12(2,3)19-11(17)15(6)9(10(16)18-7)8-13(4,5)14/h9H,8H2,1-7H3.
What are the key properties of methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 277.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 122703540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).