methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate

C16H17FN2O2 — CID 99820464

IUPACmethyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate
SMILESCOC(=O)[C@H](N[C@@H](C)c1ccncc1)c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11(12-7-9-18-10-8-12)19-15(16(20)21-2)13-5-3-4-6-14(13)17/h3-11,15,19H,1-2H3/t11-,15+/m0/s1
InChIKeyAGHPRLXLXUUUSR-XHDPSFHLSA-N
MW288.32 g/mol
LogP2.79
Rot. Bonds5

About methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate

methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate (PubChem CID 99820464) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate
PubChem CID99820464
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Namemethyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate
SMILESCOC(=O)[C@H](N[C@@H](C)c1ccncc1)c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11(12-7-9-18-10-8-12)19-15(16(20)21-2)13-5-3-4-6-14(13)17/h3-11,15,19H,1-2H3/t11-,15+/m0/s1
InChIKeyAGHPRLXLXUUUSR-XHDPSFHLSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate with MolForge

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
methyl (2S)-2-(2-fluorophenyl)-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetate
CID 124607654
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 31885014
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate?
The IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate (CID 99820464) is methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate?
The canonical SMILES for methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate is COC(=O)[C@H](N[C@@H](C)c1ccncc1)c1ccccc1F.
What is the InChIKey of methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate?
The InChIKey is AGHPRLXLXUUUSR-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(12-7-9-18-10-8-12)19-15(16(20)21-2)13-5-3-4-6-14(13)17/h3-11,15,19H,1-2H3/t11-,15+/m0/s1.
What are the key properties of methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate?
methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate has a molecular weight of 288.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate is sourced from PubChem (CID 99820464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).