methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate

C10H11F3N2O2 — CID 60631959

IUPACmethyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCOC(=O)CCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O2/c1-17-9(16)4-5-14-8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyNITJQIXQHFTPPC-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.08
Rot. Bonds4

About methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate

methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate (PubChem CID 60631959) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
PubChem CID60631959
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namemethyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCOC(=O)CCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O2/c1-17-9(16)4-5-14-8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyNITJQIXQHFTPPC-UHFFFAOYSA-N
XLogP2.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 83038922
methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
CID 60653849
ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
CID 166301269
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106242955
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
methyl 3-[3-(trifluoromethyl)anilino]propanoate
CID 43365338
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate (CID 60631959) is methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate is COC(=O)CCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The InChIKey is NITJQIXQHFTPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-9(16)4-5-14-8-3-2-7(6-15-8)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate has a molecular weight of 248.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 60631959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).