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

C11H16F3NO3 — CID 51100521

IUPACethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(CC1CC1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-2-18-10(17)7-15(6-8-3-4-8)9(16)5-11(12,13)14/h8H,2-7H2,1H3
InChIKeyWFSWRXIZGAWCCV-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.74
Rot. Bonds6

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

ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate (PubChem CID 51100521) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate
PubChem CID51100521
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(CC1CC1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-2-18-10(17)7-15(6-8-3-4-8)9(16)5-11(12,13)14/h8H,2-7H2,1H3
InChIKeyWFSWRXIZGAWCCV-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sarcosine, n-heptafluorobutyryl-, isobutyl ester
CID 13743419
Sarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Sarcosine, n-heptafluorobutyryl-, isohexyl ester
CID 91737550
Sarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737613
Sarcosine, n-heptafluorobutyryl-, ethyl ester
CID 91737617
Sarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737646
Sarcosine, N-isobutyryl-, ethyl ester
CID 61597567
Ethyl 2-[pentanoyl(trifluoromethyl)amino]acetate
CID 176438393
2-methylbutyryl glycine, PFP-TFE
CID 91748428
isovaleryl glycine, PFP-TFE
CID 91748432
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate (CID 51100521) is ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate is CCOC(=O)CN(CC1CC1)C(=O)CC(F)(F)F.
What is the InChIKey of ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate?
The InChIKey is WFSWRXIZGAWCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-2-18-10(17)7-15(6-8-3-4-8)9(16)5-11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate?
ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate has a molecular weight of 267.25 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate is sourced from PubChem (CID 51100521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).