methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate

C12H16FNO2 — CID 43225088

IUPACmethyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-8(14-9(2)12(15)16-3)10-6-4-5-7-11(10)13/h4-9,14H,1-3H3/t8?,9-/m0/s1
InChIKeyKZDUOYAUDIGBPO-GKAPJAKFSA-N
MW225.26 g/mol
LogP2.04
Rot. Bonds4

About methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate

methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate (PubChem CID 43225088) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
PubChem CID43225088
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-8(14-9(2)12(15)16-3)10-6-4-5-7-11(10)13/h4-9,14H,1-3H3/t8?,9-/m0/s1
InChIKeyKZDUOYAUDIGBPO-GKAPJAKFSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
methyl (2S)-2-[1-(4-bromo-2-fluorophenyl)ethylamino]propanoate
CID 82963202
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
3-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 79391328
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 81380728
methyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 60781951
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate?
The IUPAC name of methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate (CID 43225088) is methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate is COC(=O)[C@H](C)NC(C)c1ccccc1F.
What is the InChIKey of methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate?
The InChIKey is KZDUOYAUDIGBPO-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(14-9(2)12(15)16-3)10-6-4-5-7-11(10)13/h4-9,14H,1-3H3/t8?,9-/m0/s1.
What are the key properties of methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate?
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate has a molecular weight of 225.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate is sourced from PubChem (CID 43225088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).