1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid

C8H13FN2O3 — CID 107440014

IUPAC1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(CCCF)C(C(=O)O)CN1
InChIInChI=1S/C8H13FN2O3/c9-2-1-3-11-5-7(12)10-4-6(11)8(13)14/h6H,1-5H2,(H,10,12)(H,13,14)
InChIKeyCAUIWCPAFOUGET-UHFFFAOYSA-N
MW204.20 g/mol
LogP-0.77
Rot. Bonds4

About 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid

1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107440014) has the molecular formula C8H13FN2O3 and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107440014
Molecular FormulaC8H13FN2O3
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(CCCF)C(C(=O)O)CN1
InChIInChI=1S/C8H13FN2O3/c9-2-1-3-11-5-7(12)10-4-6(11)8(13)14/h6H,1-5H2,(H,10,12)(H,13,14)
InChIKeyCAUIWCPAFOUGET-UHFFFAOYSA-N
XLogP-0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid (CID 107440014) is 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(CCCF)C(C(=O)O)CN1.
What is the InChIKey of 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is CAUIWCPAFOUGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O3/c9-2-1-3-11-5-7(12)10-4-6(11)8(13)14/h6H,1-5H2,(H,10,12)(H,13,14).
What are the key properties of 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid?
1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 204.20 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107440014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).