3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid

C11H13FN2O2 — CID 66715086

IUPAC3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CC1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)9-5-14(11(15)16)6-10(9)13/h1-4,9-10H,5-6,13H2,(H,15,16)
InChIKeyUNCSVPOSEJTHFW-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.23
Rot. Bonds1

About 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid

3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid (PubChem CID 66715086) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid
PubChem CID66715086
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CC1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)9-5-14(11(15)16)6-10(9)13/h1-4,9-10H,5-6,13H2,(H,15,16)
InChIKeyUNCSVPOSEJTHFW-UHFFFAOYSA-N
XLogP1.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid (CID 66715086) is 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid is NC1CN(C(=O)O)CC1c1cccc(F)c1.
What is the InChIKey of 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is UNCSVPOSEJTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-3-1-2-7(4-8)9-5-14(11(15)16)6-10(9)13/h1-4,9-10H,5-6,13H2,(H,15,16).
What are the key properties of 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid?
3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-fluorophenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66715086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).