2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid

C8H12FNO3 — CID 122239607

IUPAC2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid
SMILESO=C(O)C(F)CC(=O)N1CCCC1
InChIInChI=1S/C8H12FNO3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h6H,1-5H2,(H,12,13)
InChIKeyPEPJENJZUKKUMB-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.42
Rot. Bonds3

About 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid

2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid (PubChem CID 122239607) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid
PubChem CID122239607
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid
SMILESO=C(O)C(F)CC(=O)N1CCCC1
InChIInChI=1S/C8H12FNO3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h6H,1-5H2,(H,12,13)
InChIKeyPEPJENJZUKKUMB-UHFFFAOYSA-N
XLogP0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
4-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 303583
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
3-Carboxypropionamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-
CID 551031
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
4-Oxo-4-(2-oxo-1-pyrrolidinyl)butyric acid
CID 14811461
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 24704733
4-(3,3-Difluoropyrrolidin-1-yl)-4-oxobutanoic acid
CID 116991710
4-Oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 174905855

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid (CID 122239607) is 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid is O=C(O)C(F)CC(=O)N1CCCC1.
What is the InChIKey of 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
The InChIKey is PEPJENJZUKKUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h6H,1-5H2,(H,12,13).
What are the key properties of 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid?
2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid has a molecular weight of 189.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-oxo-4-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 122239607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).