2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate

C13H19F5N2O4 — CID 91730554

IUPAC2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F5N2O4/c1-8(2)7-24-10(22)6-19(3)9(21)5-20(4)11(23)12(14,15)13(16,17)18/h8H,5-7H2,1-4H3
InChIKeyHMZPEEKQYMHCEN-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.30
Rot. Bonds7

About 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate

2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate (PubChem CID 91730554) has the molecular formula C13H19F5N2O4 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate
PubChem CID91730554
Molecular FormulaC13H19F5N2O4
Molecular Weight362.30 g/mol
Exact Mass362.13
IUPAC Name2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F5N2O4/c1-8(2)7-24-10(22)6-19(3)9(21)5-20(4)11(23)12(14,15)13(16,17)18/h8H,5-7H2,1-4H3
InChIKeyHMZPEEKQYMHCEN-UHFFFAOYSA-N
XLogP1.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Sarcosine, n-heptafluorobutyryl-, isobutyl ester
CID 13743419
Sarcosine, n-pentafluoropropionyl-, isohexyl ester
CID 91730486
Sarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
2-methylbutyryl glycine, PFP-TFE
CID 91748428
isovaleryl glycine, PFP-TFE
CID 91748432
Sarcosylsarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730553
Sarcosylsarcosine, n-pentafluoropropionyl-, butyl ester
CID 91730555
Sarcosylsarcosine, n-pentafluoropropionyl-, ethyl ester
CID 91730556
Sarcosylsarcosine, n-pentafluoropropionyl-, isohexyl ester
CID 91730557
Sarcosylsarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737575
Sarcosylsarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737576

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
The IUPAC name of 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate (CID 91730554) is 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate is CC(C)COC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
The InChIKey is HMZPEEKQYMHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F5N2O4/c1-8(2)7-24-10(22)6-19(3)9(21)5-20(4)11(23)12(14,15)13(16,17)18/h8H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate has a molecular weight of 362.30 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91730554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).