3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid

C9H18FNO2 — CID 146651817

IUPAC3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCF)CCC(=O)O
InChIInChI=1S/C9H18FNO2/c1-8(2)7-11(6-4-10)5-3-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeySGHBUHARWDNHOF-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.39
Rot. Bonds7

About 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid

3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid (PubChem CID 146651817) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid
PubChem CID146651817
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCF)CCC(=O)O
InChIInChI=1S/C9H18FNO2/c1-8(2)7-11(6-4-10)5-3-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeySGHBUHARWDNHOF-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid (CID 146651817) is 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCF)CCC(=O)O.
What is the InChIKey of 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is SGHBUHARWDNHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-8(2)7-11(6-4-10)5-3-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid?
3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 191.25 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 146651817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).