2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid

C12H20F3NO3 — CID 66276576

IUPAC2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)OC(C)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-7(19-8(2)12(13,14)15)6-11(3,10(17)18)16-9-4-5-9/h7-9,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyJXKDIZCMMIDPFB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.33
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid

2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid (PubChem CID 66276576) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
PubChem CID66276576
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)OC(C)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-7(19-8(2)12(13,14)15)6-11(3,10(17)18)16-9-4-5-9/h7-9,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyJXKDIZCMMIDPFB-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid (CID 66276576) is 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)OC(C)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
The InChIKey is JXKDIZCMMIDPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-7(19-8(2)12(13,14)15)6-11(3,10(17)18)16-9-4-5-9/h7-9,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid?
2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid is sourced from PubChem (CID 66276576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).