2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid

C10H13F6NO3 — CID 103309212

IUPAC2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H13F6NO3/c1-2-3-5(8(19)20)4-17-7(18)6(9(11,12)13)10(14,15)16/h5-6H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyNJYUZFSMNAQGDE-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.34
Rot. Bonds6

About 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid

2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid (PubChem CID 103309212) has the molecular formula C10H13F6NO3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
PubChem CID103309212
Molecular FormulaC10H13F6NO3
Molecular Weight309.21 g/mol
Exact Mass309.08
IUPAC Name2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H13F6NO3/c1-2-3-5(8(19)20)4-17-7(18)6(9(11,12)13)10(14,15)16/h5-6H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyNJYUZFSMNAQGDE-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-[(2-methylsulfonylpropanoylamino)methyl]pentanoic acid
CID 104517676
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[[(2,2,2-trifluoroacetyl)amino]methyl]hexanoic acid;hydrochloride
CID 174636896
2-[[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223018
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138

Frequently Asked Questions

What is the IUPAC name of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid (CID 103309212) is 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid?
The InChIKey is NJYUZFSMNAQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO3/c1-2-3-5(8(19)20)4-17-7(18)6(9(11,12)13)10(14,15)16/h5-6H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid?
2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid has a molecular weight of 309.21 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 103309212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).