methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate

C10H18F3N3O2 — CID 55141166

IUPACmethyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c1-18-9(17)8(14)6-15-2-4-16(5-3-15)7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyUHKHVHQGQICRIV-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.33
Rot. Bonds4

About methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate

methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate (PubChem CID 55141166) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
PubChem CID55141166
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c1-18-9(17)8(14)6-15-2-4-16(5-3-15)7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyUHKHVHQGQICRIV-UHFFFAOYSA-N
XLogP-0.33
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate 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-3-piperidin-1-ylpropanoate
CID 10988984
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
methyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054192
2-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 81088519
2-(propan-2-ylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62967934
1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 66223203
ethyl 3-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 82768968
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
2-amino-5-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 81088625
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119838358
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate (CID 55141166) is methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate is COC(=O)C(N)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate?
The InChIKey is UHKHVHQGQICRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-18-9(17)8(14)6-15-2-4-16(5-3-15)7-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate?
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate has a molecular weight of 269.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 55141166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).