2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

C15H17FN2O4 — CID 119209447

IUPAC2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C15H17FN2O4/c1-9(15(21)22)17(2)14(20)10-7-13(19)18(8-10)12-6-4-3-5-11(12)16/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyNIRLDQAUSSGCLN-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.11
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119209447) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119209447
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C15H17FN2O4/c1-9(15(21)22)17(2)14(20)10-7-13(19)18(8-10)12-6-4-3-5-11(12)16/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyNIRLDQAUSSGCLN-UHFFFAOYSA-N
XLogP1.11
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209621
1-(2-fluorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 18886103
2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 120520365
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190608
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
N-[(2-bromophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55360083
(1-amino-1-oxopropan-2-yl) 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 154774254

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (CID 119209447) is 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is NIRLDQAUSSGCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-9(15(21)22)17(2)14(20)10-7-13(19)18(8-10)12-6-4-3-5-11(12)16/h3-6,9-10H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119209447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).