methyl 2-(3-fluoropropylamino)propanoate

C7H14FNO2 — CID 81105398

IUPACmethyl 2-(3-fluoropropylamino)propanoate
SMILESCOC(=O)C(C)NCCCF
InChIInChI=1S/C7H14FNO2/c1-6(7(10)11-2)9-5-3-4-8/h6,9H,3-5H2,1-2H3
InChIKeyBRHUPQWCNLGHQG-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.50
Rot. Bonds5

About methyl 2-(3-fluoropropylamino)propanoate

methyl 2-(3-fluoropropylamino)propanoate (PubChem CID 81105398) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is methyl 2-(3-fluoropropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoropropylamino)propanoate
PubChem CID81105398
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Namemethyl 2-(3-fluoropropylamino)propanoate
SMILESCOC(=O)C(C)NCCCF
InChIInChI=1S/C7H14FNO2/c1-6(7(10)11-2)9-5-3-4-8/h6,9H,3-5H2,1-2H3
InChIKeyBRHUPQWCNLGHQG-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoropropylamino)propanoate?
The IUPAC name of methyl 2-(3-fluoropropylamino)propanoate (CID 81105398) is methyl 2-(3-fluoropropylamino)propanoate.
What is the SMILES notation for methyl 2-(3-fluoropropylamino)propanoate?
The canonical SMILES for methyl 2-(3-fluoropropylamino)propanoate is COC(=O)C(C)NCCCF.
What is the InChIKey of methyl 2-(3-fluoropropylamino)propanoate?
The InChIKey is BRHUPQWCNLGHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-6(7(10)11-2)9-5-3-4-8/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-(3-fluoropropylamino)propanoate?
methyl 2-(3-fluoropropylamino)propanoate has a molecular weight of 163.19 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoropropylamino)propanoate is sourced from PubChem (CID 81105398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).