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

C12H17F5N2O4 — CID 91730553

IUPACpropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F5N2O4/c1-4-5-23-9(21)7-18(2)8(20)6-19(3)10(22)11(13,14)12(15,16)17/h4-7H2,1-3H3
InChIKeyBCCQBJKOXVXNKU-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.05
Rot. Bonds7

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

propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate (PubChem CID 91730553) has the molecular formula C12H17F5N2O4 and a molecular weight of 348.27 g/mol. Its IUPAC name is propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate
PubChem CID91730553
Molecular FormulaC12H17F5N2O4
Molecular Weight348.27 g/mol
Exact Mass348.11
IUPAC Namepropyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F5N2O4/c1-4-5-23-9(21)7-18(2)8(20)6-19(3)10(22)11(13,14)12(15,16)17/h4-7H2,1-3H3
InChIKeyBCCQBJKOXVXNKU-UHFFFAOYSA-N
XLogP1.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.05
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-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Sarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737613
Sarcosine, n-heptafluorobutyryl-, ethyl ester
CID 91737617
Sarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737646
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990
Sarcosine, N-pentafluoropropionyl-, isopropyl ester
CID 605274
Sarcosylsarcosine, n-pentafluoropropionyl-, decyl ester
CID 91730497
Sarcosylsarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730554
Sarcosylsarcosine, n-pentafluoropropionyl-, butyl ester
CID 91730555
Sarcosylsarcosine, n-pentafluoropropionyl-, ethyl ester
CID 91730556
Sarcosylsarcosine, n-pentafluoropropionyl-, isohexyl ester
CID 91730557

Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
The IUPAC name of propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate (CID 91730553) is propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
The canonical SMILES for propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate is CCCOC(=O)CN(C)C(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
The InChIKey is BCCQBJKOXVXNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5N2O4/c1-4-5-23-9(21)7-18(2)8(20)6-19(3)10(22)11(13,14)12(15,16)17/h4-7H2,1-3H3.
What are the key properties of propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate?
propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate has a molecular weight of 348.27 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl-[2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91730553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).