methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate

C10H14F3N3O5 — CID 23278807

IUPACmethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O5/c1-5(8(19)21-2)16-7(18)4-14-6(17)3-15-9(20)10(11,12)13/h5H,3-4H2,1-2H3,(H,14,17)(H,15,20)(H,16,18)
InChIKeyFZHUFVMMVCZQRU-UHFFFAOYSA-N
MW313.23 g/mol
LogP-1.54
Rot. Bonds6

About methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate

methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate (PubChem CID 23278807) has the molecular formula C10H14F3N3O5 and a molecular weight of 313.23 g/mol. Its IUPAC name is methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
PubChem CID23278807
Molecular FormulaC10H14F3N3O5
Molecular Weight313.23 g/mol
Exact Mass313.09
IUPAC Namemethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O5/c1-5(8(19)21-2)16-7(18)4-14-6(17)3-15-9(20)10(11,12)13/h5H,3-4H2,1-2H3,(H,14,17)(H,15,20)(H,16,18)
InChIKeyFZHUFVMMVCZQRU-UHFFFAOYSA-N
XLogP-1.54
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
CID 134741415
methyl (2S)-2-[[2-[(2-cyano-2-methylpropanoyl)amino]acetyl]amino]propanoate
CID 154717709
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 44721217
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
methyl 2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]propanoate
CID 82961827
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
dimethyl 2-[[2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 46833858
methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate (CID 23278807) is methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate is COC(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
The InChIKey is FZHUFVMMVCZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O5/c1-5(8(19)21-2)16-7(18)4-14-6(17)3-15-9(20)10(11,12)13/h5H,3-4H2,1-2H3,(H,14,17)(H,15,20)(H,16,18).
What are the key properties of methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate?
methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate has a molecular weight of 313.23 g/mol, XLogP of -1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 23278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).