3-[ethyl(3-fluoropropyl)amino]butanoic acid

C9H18FNO2 — CID 81113166

IUPAC3-[ethyl(3-fluoropropyl)amino]butanoic acid
SMILESCCN(CCCF)C(C)CC(=O)O
InChIInChI=1S/C9H18FNO2/c1-3-11(6-4-5-10)8(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyZPBIABBWYPJPMI-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.53
Rot. Bonds7

About 3-[ethyl(3-fluoropropyl)amino]butanoic acid

3-[ethyl(3-fluoropropyl)amino]butanoic acid (PubChem CID 81113166) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-[ethyl(3-fluoropropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(3-fluoropropyl)amino]butanoic acid
PubChem CID81113166
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name3-[ethyl(3-fluoropropyl)amino]butanoic acid
SMILESCCN(CCCF)C(C)CC(=O)O
InChIInChI=1S/C9H18FNO2/c1-3-11(6-4-5-10)8(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyZPBIABBWYPJPMI-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-fluoropropyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(3-fluoropropyl)amino]butanoic acid (CID 81113166) is 3-[ethyl(3-fluoropropyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(3-fluoropropyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(3-fluoropropyl)amino]butanoic acid is CCN(CCCF)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(3-fluoropropyl)amino]butanoic acid?
The InChIKey is ZPBIABBWYPJPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-3-11(6-4-5-10)8(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[ethyl(3-fluoropropyl)amino]butanoic acid?
3-[ethyl(3-fluoropropyl)amino]butanoic acid has a molecular weight of 191.25 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-fluoropropyl)amino]butanoic acid is sourced from PubChem (CID 81113166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).