3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid

C7H13FN2O2 — CID 107324862

IUPAC3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCF)C1
InChIInChI=1S/C7H13FN2O2/c8-2-4-10-3-1-7(9,5-10)6(11)12/h1-5,9H2,(H,11,12)
InChIKeyXAQMSMBVOOOAAP-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.56
Rot. Bonds3

About 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324862) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid
PubChem CID107324862
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCF)C1
InChIInChI=1S/C7H13FN2O2/c8-2-4-10-3-1-7(9,5-10)6(11)12/h1-5,9H2,(H,11,12)
InChIKeyXAQMSMBVOOOAAP-UHFFFAOYSA-N
XLogP-0.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid (CID 107324862) is 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CCF)C1.
What is the InChIKey of 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XAQMSMBVOOOAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-2-4-10-3-1-7(9,5-10)6(11)12/h1-5,9H2,(H,11,12).
What are the key properties of 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 176.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).