(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid

C13H15FN2O3 — CID 168699011

IUPAC(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
SMILESNC1CC(=O)N([C@H](Cc2ccccc2F)C(=O)O)C1
InChIInChI=1S/C13H15FN2O3/c14-10-4-2-1-3-8(10)5-11(13(18)19)16-7-9(15)6-12(16)17/h1-4,9,11H,5-7,15H2,(H,18,19)/t9?,11-/m1/s1
InChIKeyDOQLZVJOTXLGAN-HCCKASOXSA-N
MW266.27 g/mol
LogP0.38
Rot. Bonds4

About (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid

(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 168699011) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
PubChem CID168699011
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
SMILESNC1CC(=O)N([C@H](Cc2ccccc2F)C(=O)O)C1
InChIInChI=1S/C13H15FN2O3/c14-10-4-2-1-3-8(10)5-11(13(18)19)16-7-9(15)6-12(16)17/h1-4,9,11H,5-7,15H2,(H,18,19)/t9?,11-/m1/s1
InChIKeyDOQLZVJOTXLGAN-HCCKASOXSA-N
XLogP0.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168695935
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 168698995
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168698989
(2S)-3-(2-bromophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675007
1-[(1S)-1-carboxy-2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690375
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 168659021
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
CID 168698885
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
CID 82088132
3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid (CID 168699011) is (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid is NC1CC(=O)N([C@H](Cc2ccccc2F)C(=O)O)C1.
What is the InChIKey of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is DOQLZVJOTXLGAN-HCCKASOXSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-4-2-1-3-8(10)5-11(13(18)19)16-7-9(15)6-12(16)17/h1-4,9,11H,5-7,15H2,(H,18,19)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 266.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 168699011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).