methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate

C14H15F3N2O2 — CID 115072109

IUPACmethyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
SMILESCCn1c(C(N)C(=O)OC)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H15F3N2O2/c1-3-19-10-5-4-9(14(15,16)17)6-8(10)7-11(19)12(18)13(20)21-2/h4-7,12H,3,18H2,1-2H3
InChIKeyMHWFVUYPAUQJMF-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate

methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate (PubChem CID 115072109) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
PubChem CID115072109
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
SMILESCCn1c(C(N)C(=O)OC)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H15F3N2O2/c1-3-19-10-5-4-9(14(15,16)17)6-8(10)7-11(19)12(18)13(20)21-2/h4-7,12H,3,18H2,1-2H3
InChIKeyMHWFVUYPAUQJMF-UHFFFAOYSA-N
XLogP2.85
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]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

methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121456
2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
CID 115072108
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121445
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
2-amino-2-[1-ethyl-2-methyl-6-(trifluoromethyl)indol-3-yl]acetic acid
CID 115073063
3-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]butanoic acid
CID 117121481
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020
methyl (2S)-2-amino-2-[4-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 171211560
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate?
The IUPAC name of methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate (CID 115072109) is methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate is CCn1c(C(N)C(=O)OC)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate?
The InChIKey is MHWFVUYPAUQJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-3-19-10-5-4-9(14(15,16)17)6-8(10)7-11(19)12(18)13(20)21-2/h4-7,12H,3,18H2,1-2H3.
What are the key properties of methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate?
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate has a molecular weight of 300.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate is sourced from PubChem (CID 115072109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).