methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate

C11H15FN2O2 — CID 83119735

IUPACmethyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCCNC(C)(C(=O)OC)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O2/c1-4-14-11(2,10(15)16-3)9-6-5-8(12)7-13-9/h5-7,14H,4H2,1-3H3
InChIKeyUPIBNMWSGLBKHE-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate

methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate (PubChem CID 83119735) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
PubChem CID83119735
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Namemethyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCCNC(C)(C(=O)OC)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O2/c1-4-14-11(2,10(15)16-3)9-6-5-8(12)7-13-9/h5-7,14H,4H2,1-3H3
InChIKeyUPIBNMWSGLBKHE-UHFFFAOYSA-N
XLogP1.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119001
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 83119614
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
CID 112586720
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
CID 104572268
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112586578

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate (CID 83119735) is methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate is CCNC(C)(C(=O)OC)c1ccc(F)cn1.
What is the InChIKey of methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The InChIKey is UPIBNMWSGLBKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-4-14-11(2,10(15)16-3)9-6-5-8(12)7-13-9/h5-7,14H,4H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate has a molecular weight of 226.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate is sourced from PubChem (CID 83119735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).