3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid

C14H19FN2O2 — CID 107321237

IUPAC3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccccc1F)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H19FN2O2/c1-2-12(10-5-3-4-6-11(10)15)17-8-7-14(16,9-17)13(18)19/h3-6,12H,2,7-9,16H2,1H3,(H,18,19)
InChIKeyQRSMPVNRTPJIKC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid

3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid (PubChem CID 107321237) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid
PubChem CID107321237
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccccc1F)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H19FN2O2/c1-2-12(10-5-3-4-6-11(10)15)17-8-7-14(16,9-17)13(18)19/h3-6,12H,2,7-9,16H2,1H3,(H,18,19)
InChIKeyQRSMPVNRTPJIKC-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid (CID 107321237) is 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid is CCC(c1ccccc1F)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QRSMPVNRTPJIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-12(10-5-3-4-6-11(10)15)17-8-7-14(16,9-17)13(18)19/h3-6,12H,2,7-9,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).