(2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride

C7H14ClFN2O2 — CID 142577926

IUPAC(2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C(\N)CC(=O)OCC(C)(C)F
InChIInChI=1S/C7H13FN2O2.ClH/c1-7(2,8)4-12-6(11)3-5(9)10;/h3-4H2,1-2H3,(H3,9,10);1H
InChIKeyWPROFWUFWDAJLM-UHFFFAOYSA-N
MW212.65 g/mol
LogP1.03
Rot. Bonds4

About (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride

(2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride (PubChem CID 142577926) has the molecular formula C7H14ClFN2O2 and a molecular weight of 212.65 g/mol. Its IUPAC name is (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride
PubChem CID142577926
Molecular FormulaC7H14ClFN2O2
Molecular Weight212.65 g/mol
Exact Mass212.07
IUPAC Name(2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C(\N)CC(=O)OCC(C)(C)F
InChIInChI=1S/C7H13FN2O2.ClH/c1-7(2,8)4-12-6(11)3-5(9)10;/h3-4H2,1-2H3,(H3,9,10);1H
InChIKeyWPROFWUFWDAJLM-UHFFFAOYSA-N
XLogP1.03
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride?
The IUPAC name of (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride (CID 142577926) is (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride.
What is the SMILES notation for (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride?
The canonical SMILES for (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride is Cl.[H]/N=C(\N)CC(=O)OCC(C)(C)F.
What is the InChIKey of (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride?
The InChIKey is WPROFWUFWDAJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2.ClH/c1-7(2,8)4-12-6(11)3-5(9)10;/h3-4H2,1-2H3,(H3,9,10);1H.
What are the key properties of (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride?
(2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride has a molecular weight of 212.65 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-methylpropyl) 3-amino-3-iminopropanoate;hydrochloride is sourced from PubChem (CID 142577926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).