methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate

C7H14FNO3 — CID 90391056

IUPACmethyl 2-(2-fluoropropylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NCC(C)F
InChIInChI=1S/C7H14FNO3/c1-5(8)3-9-6(4-10)7(11)12-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyGFFHOIPWHDYBBG-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.53
Rot. Bonds5

About methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate

methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate (PubChem CID 90391056) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoropropylamino)-3-hydroxypropanoate
PubChem CID90391056
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC Namemethyl 2-(2-fluoropropylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NCC(C)F
InChIInChI=1S/C7H14FNO3/c1-5(8)3-9-6(4-10)7(11)12-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyGFFHOIPWHDYBBG-UHFFFAOYSA-N
XLogP-0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate (CID 90391056) is methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate is COC(=O)C(CO)NCC(C)F.
What is the InChIKey of methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate?
The InChIKey is GFFHOIPWHDYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-5(8)3-9-6(4-10)7(11)12-2/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate?
methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate has a molecular weight of 179.19 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate is sourced from PubChem (CID 90391056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).