methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate

C11H13F3N2O3 — CID 7045261

IUPACmethyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)[C@@](Nc1ncccc1C)(OC)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-7-5-4-6-15-8(7)16-10(19-3,9(17)18-2)11(12,13)14/h4-6H,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyCVINXYUQONWBRQ-SNVBAGLBSA-N
MW278.23 g/mol
LogP1.88
Rot. Bonds4

About methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate

methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate (PubChem CID 7045261) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
PubChem CID7045261
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Namemethyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)[C@@](Nc1ncccc1C)(OC)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-7-5-4-6-15-8(7)16-10(19-3,9(17)18-2)11(12,13)14/h4-6H,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyCVINXYUQONWBRQ-SNVBAGLBSA-N
XLogP1.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 5146392
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 71672267
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
ethyl (2R)-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 7125083
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
ethyl (2S)-3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 29093375
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
CID 17099829
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
CID 106487890
3,5-dichloro-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 17440573
4-methoxy-N-[(3-methyl-2-pyridinyl)carbamoyl]benzamide
CID 888500

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate (CID 7045261) is methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate is COC(=O)[C@@](Nc1ncccc1C)(OC)C(F)(F)F.
What is the InChIKey of methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
The InChIKey is CVINXYUQONWBRQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-5-4-6-15-8(7)16-10(19-3,9(17)18-2)11(12,13)14/h4-6H,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate?
methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate has a molecular weight of 278.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3,3,3-trifluoro-2-methoxy-2-[(3-methyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 7045261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).