methyl (2S)-2-(fluoroamino)propanoate

C4H8FNO2 — CID 141384142

IUPACmethyl (2S)-2-(fluoroamino)propanoate
SMILESCOC(=O)[C@H](C)NF
InChIInChI=1S/C4H8FNO2/c1-3(6-5)4(7)8-2/h3,6H,1-2H3/t3-/m0/s1
InChIKeyNDVIAOOXISYWDV-VKHMYHEASA-N
MW121.11 g/mol
LogP0.02
Rot. Bonds2

About methyl (2S)-2-(fluoroamino)propanoate

methyl (2S)-2-(fluoroamino)propanoate (PubChem CID 141384142) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is methyl (2S)-2-(fluoroamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(fluoroamino)propanoate
PubChem CID141384142
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Namemethyl (2S)-2-(fluoroamino)propanoate
SMILESCOC(=O)[C@H](C)NF
InChIInChI=1S/C4H8FNO2/c1-3(6-5)4(7)8-2/h3,6H,1-2H3/t3-/m0/s1
InChIKeyNDVIAOOXISYWDV-VKHMYHEASA-N
XLogP0.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(fluoroamino)propanoate
CID 89108988
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
methyl 2-(1,1-difluoropropan-2-ylamino)propanoate
CID 102869349
methyl (2R)-2-acetamidopropanoate
CID 6951031
methyl (2R)-2-formamidopropanoate
CID 11651157
methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62669479
methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
CID 166967471
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-aminopropanoate
CID 159707893
methyl 2-methylpropanoate;titanium
CID 174633551
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(fluoroamino)propanoate?
The IUPAC name of methyl (2S)-2-(fluoroamino)propanoate (CID 141384142) is methyl (2S)-2-(fluoroamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(fluoroamino)propanoate?
The canonical SMILES for methyl (2S)-2-(fluoroamino)propanoate is COC(=O)[C@H](C)NF.
What is the InChIKey of methyl (2S)-2-(fluoroamino)propanoate?
The InChIKey is NDVIAOOXISYWDV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8FNO2/c1-3(6-5)4(7)8-2/h3,6H,1-2H3/t3-/m0/s1.
What are the key properties of methyl (2S)-2-(fluoroamino)propanoate?
methyl (2S)-2-(fluoroamino)propanoate has a molecular weight of 121.11 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(fluoroamino)propanoate is sourced from PubChem (CID 141384142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).