3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid

C14H17FN2O3 — CID 129414901

IUPAC3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O3/c1-16(8-7-13(18)19)12-6-9-17(14(12)20)11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyZYGQUIYKBYVWEE-LBPRGKRZSA-N
MW280.30 g/mol
LogP1.34
Rot. Bonds5

About 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid

3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid (PubChem CID 129414901) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
PubChem CID129414901
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O3/c1-16(8-7-13(18)19)12-6-9-17(14(12)20)11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyZYGQUIYKBYVWEE-LBPRGKRZSA-N
XLogP1.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
CID 119037327
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 99807453
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95623626
methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 97159507

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid (CID 129414901) is 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid is CN(CCC(=O)O)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
The InChIKey is ZYGQUIYKBYVWEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-16(8-7-13(18)19)12-6-9-17(14(12)20)11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid is sourced from PubChem (CID 129414901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).