methyl 2-amino-2-fluorobutanoate;hydrochloride

C5H11ClFNO2 — CID 142778169

IUPACmethyl 2-amino-2-fluorobutanoate;hydrochloride
SMILESCCC(N)(F)C(=O)OC.Cl
InChIInChI=1S/C5H10FNO2.ClH/c1-3-5(6,7)4(8)9-2;/h3,7H2,1-2H3;1H
InChIKeySKDNEPVHDSOUFD-UHFFFAOYSA-N
MW171.60 g/mol
LogP0.62
Rot. Bonds2

About methyl 2-amino-2-fluorobutanoate;hydrochloride

methyl 2-amino-2-fluorobutanoate;hydrochloride (PubChem CID 142778169) has the molecular formula C5H11ClFNO2 and a molecular weight of 171.60 g/mol. Its IUPAC name is methyl 2-amino-2-fluorobutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-fluorobutanoate;hydrochloride
PubChem CID142778169
Molecular FormulaC5H11ClFNO2
Molecular Weight171.60 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-amino-2-fluorobutanoate;hydrochloride
SMILESCCC(N)(F)C(=O)OC.Cl
InChIInChI=1S/C5H10FNO2.ClH/c1-3-5(6,7)4(8)9-2;/h3,7H2,1-2H3;1H
InChIKeySKDNEPVHDSOUFD-UHFFFAOYSA-N
XLogP0.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-fluorobutanoate;hydrochloride?
The IUPAC name of methyl 2-amino-2-fluorobutanoate;hydrochloride (CID 142778169) is methyl 2-amino-2-fluorobutanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-fluorobutanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-fluorobutanoate;hydrochloride is CCC(N)(F)C(=O)OC.Cl.
What is the InChIKey of methyl 2-amino-2-fluorobutanoate;hydrochloride?
The InChIKey is SKDNEPVHDSOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2.ClH/c1-3-5(6,7)4(8)9-2;/h3,7H2,1-2H3;1H.
What are the key properties of methyl 2-amino-2-fluorobutanoate;hydrochloride?
methyl 2-amino-2-fluorobutanoate;hydrochloride has a molecular weight of 171.60 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-fluorobutanoate;hydrochloride is sourced from PubChem (CID 142778169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).