ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate

C10H14F3NO3 — CID 54984180

IUPACethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO3/c1-2-17-9(16)6-14(7-3-4-7)8(15)5-10(11,12)13/h7H,2-6H2,1H3
InChIKeyXZTLULUWPFNBBD-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate

ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate (PubChem CID 54984180) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate
PubChem CID54984180
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Nameethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO3/c1-2-17-9(16)6-14(7-3-4-7)8(15)5-10(11,12)13/h7H,2-6H2,1H3
InChIKeyXZTLULUWPFNBBD-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Isopropyl(trifluoroacetyl)amino)ethyl trifluoroacetate
CID 91712837
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
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635
Butan-2-yl 2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 592911
Butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 592913
Sarcosine, N-pentafluoropropionyl-, isopropyl ester
CID 605274
Ethyl 3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 4341681
L-Alanine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 22217129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate (CID 54984180) is ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate is CCOC(=O)CN(C(=O)CC(F)(F)F)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate?
The InChIKey is XZTLULUWPFNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-2-17-9(16)6-14(7-3-4-7)8(15)5-10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate?
ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate has a molecular weight of 253.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetate is sourced from PubChem (CID 54984180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).