2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid

C11H12F3N3O3 — CID 154159367

IUPAC2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)O
InChIInChI=1S/C11H12F3N3O3/c1-2-3-6(10(19)20)17-9(18)7-4-8(11(12,13)14)16-5-15-7/h4-6H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyOTILTVLANUFERD-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.48
Rot. Bonds5

About 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid

2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid (PubChem CID 154159367) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
PubChem CID154159367
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)O
InChIInChI=1S/C11H12F3N3O3/c1-2-3-6(10(19)20)17-9(18)7-4-8(11(12,13)14)16-5-15-7/h4-6H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyOTILTVLANUFERD-UHFFFAOYSA-N
XLogP1.48
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84557901
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid (CID 154159367) is 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid is CCCC(NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)O.
What is the InChIKey of 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid?
The InChIKey is OTILTVLANUFERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-2-3-6(10(19)20)17-9(18)7-4-8(11(12,13)14)16-5-15-7/h4-6H,2-3H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid?
2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid has a molecular weight of 291.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 154159367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).