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

C11H13F3N2O2 — CID 62004487

IUPACmethyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCOC(=O)CCN(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16(7-5-9(17)18-2)10-8(11(12,13)14)4-3-6-15-10/h3-4,6H,5,7H2,1-2H3
InChIKeyPSZRRCQCCUBALX-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.10
Rot. Bonds4

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

methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate (PubChem CID 62004487) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
PubChem CID62004487
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Namemethyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCOC(=O)CCN(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16(7-5-9(17)18-2)10-8(11(12,13)14)4-3-6-15-10/h3-4,6H,5,7H2,1-2H3
InChIKeyPSZRRCQCCUBALX-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]propanoate
CID 71683330
methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
CID 62928880
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 66181620
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
CID 167823695
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 76993842

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate (CID 62004487) is methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate is COC(=O)CCN(C)c1ncccc1C(F)(F)F.
What is the InChIKey of methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The InChIKey is PSZRRCQCCUBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(7-5-9(17)18-2)10-8(11(12,13)14)4-3-6-15-10/h3-4,6H,5,7H2,1-2H3.
What are the key properties of methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate has a molecular weight of 262.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 62004487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).