2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid

C15H17F4N3O3 — CID 140625313

IUPAC2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESCC[C@H](C)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1CC(=O)O
InChIInChI=1S/C15H17F4N3O3/c1-3-8(2)11-6-22(14(25)21(11)7-12(23)24)13-10(16)4-9(5-20-13)15(17,18)19/h4-5,8,11H,3,6-7H2,1-2H3,(H,23,24)/t8-,11+/m0/s1
InChIKeyQYGUXQMGOFMONC-GZMMTYOYSA-N
MW363.31 g/mol
LogP2.98
Rot. Bonds5

About 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid

2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 140625313) has the molecular formula C15H17F4N3O3 and a molecular weight of 363.31 g/mol. Its IUPAC name is 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID140625313
Molecular FormulaC15H17F4N3O3
Molecular Weight363.31 g/mol
Exact Mass363.12
IUPAC Name2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESCC[C@H](C)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1CC(=O)O
InChIInChI=1S/C15H17F4N3O3/c1-3-8(2)11-6-22(14(25)21(11)7-12(23)24)13-10(16)4-9(5-20-13)15(17,18)19/h4-5,8,11H,3,6-7H2,1-2H3,(H,23,24)/t8-,11+/m0/s1
InChIKeyQYGUXQMGOFMONC-GZMMTYOYSA-N
XLogP2.98
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide
CID 90321848
2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321801
2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321931
2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
CID 90321986
(4S)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-4-propylimidazolidin-2-one
CID 140625303
(4R)-3-[2-(3-ethoxyphenyl)-2-oxoethyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
CID 73054572
(4S)-4-[(2S)-butan-2-yl]-3-[3-(4-chloro-2-pyridinyl)-2-oxopropyl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
CID 159317561
(3R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-(sulfanylmethyl)piperazine-1-carboxylic acid
CID 175475658
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
(4R)-1-(5-chloropyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
CID 159231276
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
(6aR)-8-butanoyl-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one
CID 167173521

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid (CID 140625313) is 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid is CC[C@H](C)[C@H]1CN(c2ncc(C(F)(F)F)cc2F)C(=O)N1CC(=O)O.
What is the InChIKey of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is QYGUXQMGOFMONC-GZMMTYOYSA-N. The full InChI is InChI=1S/C15H17F4N3O3/c1-3-8(2)11-6-22(14(25)21(11)7-12(23)24)13-10(16)4-9(5-20-13)15(17,18)19/h4-5,8,11H,3,6-7H2,1-2H3,(H,23,24)/t8-,11+/m0/s1.
What are the key properties of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid?
2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 363.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 140625313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).