2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid

C9H16F3NO2 — CID 63227923

IUPAC2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
SMILESCCCC(C)(NCCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-3-4-8(2,7(14)15)13-6-5-9(10,11)12/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyGRTWHXNKOOHBRO-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.17
Rot. Bonds6

About 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid

2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid (PubChem CID 63227923) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
PubChem CID63227923
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
SMILESCCCC(C)(NCCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-3-4-8(2,7(14)15)13-6-5-9(10,11)12/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyGRTWHXNKOOHBRO-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid (CID 63227923) is 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid is CCCC(C)(NCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid?
The InChIKey is GRTWHXNKOOHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-3-4-8(2,7(14)15)13-6-5-9(10,11)12/h13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid?
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid has a molecular weight of 227.23 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid is sourced from PubChem (CID 63227923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).