2-(3-fluoropropylamino)-2-methylpropanoic acid

C7H14FNO2 — CID 81114836

IUPAC2-(3-fluoropropylamino)-2-methylpropanoic acid
SMILESCC(C)(NCCCF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-7(2,6(10)11)9-5-3-4-8/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyBTHTXAVOOCUCBR-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.80
Rot. Bonds5

About 2-(3-fluoropropylamino)-2-methylpropanoic acid

2-(3-fluoropropylamino)-2-methylpropanoic acid (PubChem CID 81114836) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylamino)-2-methylpropanoic acid
PubChem CID81114836
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-(3-fluoropropylamino)-2-methylpropanoic acid
SMILESCC(C)(NCCCF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-7(2,6(10)11)9-5-3-4-8/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyBTHTXAVOOCUCBR-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoropropylamino)-2-methylbutanoic acid
CID 81114600
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
2-(3-cyanopropylamino)-2-methylpropanoic acid
CID 65264120
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
CID 62993597
3,3,3-trifluoro-2-methyl-2-(4,4,4-trifluorobutylamino)propanoic acid
CID 115514712
2-(2-hydroxybutylamino)-2-methylpropanoic acid
CID 65263487
3,3,3-trifluoro-2-(2-fluoroethylamino)-2-methylpropanoic acid
CID 80695608
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
2-(butylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791166
2-[2-(2,5-difluorophenyl)ethylamino]-2-methylpropanoic acid
CID 115128075
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(3-fluoropropylamino)-2-methylpropanoic acid (CID 81114836) is 2-(3-fluoropropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-fluoropropylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-fluoropropylamino)-2-methylpropanoic acid is CC(C)(NCCCF)C(=O)O.
What is the InChIKey of 2-(3-fluoropropylamino)-2-methylpropanoic acid?
The InChIKey is BTHTXAVOOCUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(2,6(10)11)9-5-3-4-8/h9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(3-fluoropropylamino)-2-methylpropanoic acid?
2-(3-fluoropropylamino)-2-methylpropanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 81114836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).