methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate

C10H16F3NO4 — CID 79204362

IUPACmethyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C10H16F3NO4/c1-18-9(17)4-5-14(7-10(11,12)13)8(16)3-2-6-15/h15H,2-7H2,1H3
InChIKeyDTXHMXCYFNKVBG-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.71
Rot. Bonds7

About methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 79204362) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID79204362
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C10H16F3NO4/c1-18-9(17)4-5-14(7-10(11,12)13)8(16)3-2-6-15/h15H,2-7H2,1H3
InChIKeyDTXHMXCYFNKVBG-UHFFFAOYSA-N
XLogP0.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate (CID 79204362) is methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is DTXHMXCYFNKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-18-9(17)4-5-14(7-10(11,12)13)8(16)3-2-6-15/h15H,2-7H2,1H3.
What are the key properties of methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 271.23 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-hydroxybutanoyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 79204362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).