2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid

C15H13FN2O4 — CID 124528366

IUPAC2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)N2CCNC2=C1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c16-9-3-1-8(2-4-9)13(21)12-10(7-11(19)20)15(22)18-6-5-17-14(12)18/h1-4,10,17H,5-7H2,(H,19,20)/t10-/m0/s1
InChIKeyREVRFKLZGMEZRU-JTQLQIEISA-N
MW304.28 g/mol
LogP0.76
Rot. Bonds4

About 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid

2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid (PubChem CID 124528366) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid
PubChem CID124528366
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)N2CCNC2=C1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c16-9-3-1-8(2-4-9)13(21)12-10(7-11(19)20)15(22)18-6-5-17-14(12)18/h1-4,10,17H,5-7H2,(H,19,20)/t10-/m0/s1
InChIKeyREVRFKLZGMEZRU-JTQLQIEISA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid with MolForge

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Related Compounds

2-[(6S)-7-(4-methylbenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid
CID 124528367
2-[(6R)-7-(2-methylpropanoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid
CID 95003245
2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-3,6-dihydro-2H-pyrrolo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 124519159
(5,7-diphenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridin-8-yl)-phenylmethanone
CID 15850043
(4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone
CID 175689862
2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 104605926
2-[(6S)-5-oxo-7-(pyridine-3-carbonyl)-3,6-dihydro-2H-pyrrolo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 124528438
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
2-(9-nitro-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-7-yl)acetic acid
CID 11368844
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
(4-fluorophenyl)-phenylmethanone
CID 161464622

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid?
The IUPAC name of 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid (CID 124528366) is 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid.
What is the SMILES notation for 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid?
The canonical SMILES for 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid is O=C(O)C[C@@H]1C(=O)N2CCNC2=C1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid?
The InChIKey is REVRFKLZGMEZRU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-9-3-1-8(2-4-9)13(21)12-10(7-11(19)20)15(22)18-6-5-17-14(12)18/h1-4,10,17H,5-7H2,(H,19,20)/t10-/m0/s1.
What are the key properties of 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid?
2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid has a molecular weight of 304.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-7-(4-fluorobenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid is sourced from PubChem (CID 124528366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).