(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H13FN2O3 — CID 1445847

IUPAC(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyCYVTYTNYTQOEDD-SNVBAGLBSA-N
MW252.24 g/mol
LogP1.91
Rot. Bonds2

About (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 1445847) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID1445847
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyCYVTYTNYTQOEDD-SNVBAGLBSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 1445847) is (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CYVTYTNYTQOEDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 1445847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).