2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid

C17H21FN2O4 — CID 119193122

IUPAC2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O4/c1-11(2)9-19(10-15(21)22)16(23)14-7-8-20(17(14)24)13-5-3-12(18)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyHQZJXTCLPATKLQ-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.75
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid

2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193122) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193122
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O4/c1-11(2)9-19(10-15(21)22)16(23)14-7-8-20(17(14)24)13-5-3-12(18)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyHQZJXTCLPATKLQ-UHFFFAOYSA-N
XLogP1.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193122) is 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is HQZJXTCLPATKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-11(2)9-19(10-15(21)22)16(23)14-7-8-20(17(14)24)13-5-3-12(18)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 336.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).