1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid

C16H18FN3O4 — CID 119256811

IUPAC1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1
InChIInChI=1S/C16H18FN3O4/c1-16(14(22)23)4-6-19(9-16)13(21)11-8-10(2-3-12(11)17)20-7-5-18-15(20)24/h2-3,8H,4-7,9H2,1H3,(H,18,24)(H,22,23)
InChIKeyUCHFULGWXJDHGC-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.29
Rot. Bonds3

About 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256811) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256811
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1
InChIInChI=1S/C16H18FN3O4/c1-16(14(22)23)4-6-19(9-16)13(21)11-8-10(2-3-12(11)17)20-7-5-18-15(20)24/h2-3,8H,4-7,9H2,1H3,(H,18,24)(H,22,23)
InChIKeyUCHFULGWXJDHGC-UHFFFAOYSA-N
XLogP1.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
methyl (3S)-1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-phenylpyrrolidine-3-carboxylate
CID 124882733
1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259052
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-4-methyl-1,4-diazepan-5-one
CID 136554095
1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119418180
1-(4-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146558
1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136511592
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136516507
1-(2-bromo-4-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63142723
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136526977
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256811) is 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1.
What is the InChIKey of 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UCHFULGWXJDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-16(14(22)23)4-6-19(9-16)13(21)11-8-10(2-3-12(11)17)20-7-5-18-15(20)24/h2-3,8H,4-7,9H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 335.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).