3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid

C8H15FN2O2 — CID 107324864

IUPAC3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCCF)C1
InChIInChI=1S/C8H15FN2O2/c9-3-1-4-11-5-2-8(10,6-11)7(12)13/h1-6,10H2,(H,12,13)
InChIKeyYEXZOCXJYLMUHJ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.17
Rot. Bonds4

About 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324864) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
PubChem CID107324864
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCCF)C1
InChIInChI=1S/C8H15FN2O2/c9-3-1-4-11-5-2-8(10,6-11)7(12)13/h1-6,10H2,(H,12,13)
InChIKeyYEXZOCXJYLMUHJ-UHFFFAOYSA-N
XLogP-0.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid (CID 107324864) is 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CCCF)C1.
What is the InChIKey of 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YEXZOCXJYLMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c9-3-1-4-11-5-2-8(10,6-11)7(12)13/h1-6,10H2,(H,12,13).
What are the key properties of 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 190.22 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).