(2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate

C10H12FNO3 — CID 66165396

IUPAC(2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate
SMILESNCC(O)C(=O)OCc1ccccc1F
InChIInChI=1S/C10H12FNO3/c11-8-4-2-1-3-7(8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2
InChIKeyXBCYKAQFUMUAOH-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.19
Rot. Bonds4

About (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate

(2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate (PubChem CID 66165396) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate
PubChem CID66165396
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name(2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate
SMILESNCC(O)C(=O)OCc1ccccc1F
InChIInChI=1S/C10H12FNO3/c11-8-4-2-1-3-7(8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2
InChIKeyXBCYKAQFUMUAOH-UHFFFAOYSA-N
XLogP0.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate (CID 66165396) is (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate is NCC(O)C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate?
The InChIKey is XBCYKAQFUMUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-4-2-1-3-7(8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2.
What are the key properties of (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate?
(2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate has a molecular weight of 213.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 66165396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).