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

C14H15FN2O4 — CID 168695935

IUPAC(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
SMILESNC(=O)C1CC(=O)N([C@H](Cc2ccccc2F)C(=O)O)C1
InChIInChI=1S/C14H15FN2O4/c15-10-4-2-1-3-8(10)5-11(14(20)21)17-7-9(13(16)19)6-12(17)18/h1-4,9,11H,5-7H2,(H2,16,19)(H,20,21)/t9?,11-/m1/s1
InChIKeyKXISTIHCBYOJAD-HCCKASOXSA-N
MW294.28 g/mol
LogP0.16
Rot. Bonds5

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

(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 168695935) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
PubChem CID168695935
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
SMILESNC(=O)C1CC(=O)N([C@H](Cc2ccccc2F)C(=O)O)C1
InChIInChI=1S/C14H15FN2O4/c15-10-4-2-1-3-8(10)5-11(14(20)21)17-7-9(13(16)19)6-12(17)18/h1-4,9,11H,5-7H2,(H2,16,19)(H,20,21)/t9?,11-/m1/s1
InChIKeyKXISTIHCBYOJAD-HCCKASOXSA-N
XLogP0.16
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
1-[(1S)-1-carboxy-2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690375
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 168695804
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168695921
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
CID 168695905
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 168695925
1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690337
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168695785
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid (CID 168695935) is (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid is NC(=O)C1CC(=O)N([C@H](Cc2ccccc2F)C(=O)O)C1.
What is the InChIKey of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is KXISTIHCBYOJAD-HCCKASOXSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-10-4-2-1-3-8(10)5-11(14(20)21)17-7-9(13(16)19)6-12(17)18/h1-4,9,11H,5-7H2,(H2,16,19)(H,20,21)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid?
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 294.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 168695935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).