3-amino-2-fluoropropanoic acid;hydrochloride

C3H7ClFNO2 — CID 44630296

IUPAC3-amino-2-fluoropropanoic acid;hydrochloride
SMILESCl.NCC(F)C(=O)O
InChIInChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H
InChIKeyCVYOZQFAVJXJTK-UHFFFAOYSA-N
MW143.54 g/mol
LogP-0.21
Rot. Bonds2

About 3-amino-2-fluoropropanoic acid;hydrochloride

3-amino-2-fluoropropanoic acid;hydrochloride (PubChem CID 44630296) has the molecular formula C3H7ClFNO2 and a molecular weight of 143.54 g/mol. Its IUPAC name is 3-amino-2-fluoropropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2-fluoropropanoic acid;hydrochloride
PubChem CID44630296
Molecular FormulaC3H7ClFNO2
Molecular Weight143.54 g/mol
Exact Mass143.01
IUPAC Name3-amino-2-fluoropropanoic acid;hydrochloride
SMILESCl.NCC(F)C(=O)O
InChIInChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H
InChIKeyCVYOZQFAVJXJTK-UHFFFAOYSA-N
XLogP-0.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.54
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoropropanoic acid;hydrochloride?
The IUPAC name of 3-amino-2-fluoropropanoic acid;hydrochloride (CID 44630296) is 3-amino-2-fluoropropanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-2-fluoropropanoic acid;hydrochloride?
The canonical SMILES for 3-amino-2-fluoropropanoic acid;hydrochloride is Cl.NCC(F)C(=O)O.
What is the InChIKey of 3-amino-2-fluoropropanoic acid;hydrochloride?
The InChIKey is CVYOZQFAVJXJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H.
What are the key properties of 3-amino-2-fluoropropanoic acid;hydrochloride?
3-amino-2-fluoropropanoic acid;hydrochloride has a molecular weight of 143.54 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoropropanoic acid;hydrochloride is sourced from PubChem (CID 44630296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).