2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid

C10H17F3N2O3 — CID 65226358

IUPAC2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-2-3-7(8(16)17)6-15-9(18)14-5-4-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQGVGJJHDRRPWQT-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.74
Rot. Bonds7

About 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid

2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65226358) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid
PubChem CID65226358
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-2-3-7(8(16)17)6-15-9(18)14-5-4-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQGVGJJHDRRPWQT-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid (CID 65226358) is 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is QGVGJJHDRRPWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-2-3-7(8(16)17)6-15-9(18)14-5-4-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid?
2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65226358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).