methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate

C8H9FN2O2 — CID 131354217

IUPACmethyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
SMILESCOC(=O)C(N)c1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)7(10)6-3-2-5(9)4-11-6/h2-4,7H,10H2,1H3
InChIKeyNBMPXCQZNLYOBX-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate

methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate (PubChem CID 131354217) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
PubChem CID131354217
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
SMILESCOC(=O)C(N)c1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)7(10)6-3-2-5(9)4-11-6/h2-4,7H,10H2,1H3
InChIKeyNBMPXCQZNLYOBX-UHFFFAOYSA-N
XLogP0.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
CID 83128638
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
CID 167014812
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
CID 83119608
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
2-[5-[(5-fluoro-2-pyridinyl)oxy]-2-pyridinyl]propanamide
CID 164734546
3-amino-3-(5-fluoro-2-pyridinyl)propanamide
CID 87634519
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)acetate
CID 104571398

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate (CID 131354217) is methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate is COC(=O)C(N)c1ccc(F)cn1.
What is the InChIKey of methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate?
The InChIKey is NBMPXCQZNLYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)7(10)6-3-2-5(9)4-11-6/h2-4,7H,10H2,1H3.
What are the key properties of methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate?
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate has a molecular weight of 184.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate is sourced from PubChem (CID 131354217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).