(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid

C5H7FN2O3 — CID 174188026

IUPAC(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid
SMILESO=C(O)[C@]1(F)NCCNC1=O
InChIInChI=1S/C5H7FN2O3/c6-5(4(10)11)3(9)7-1-2-8-5/h8H,1-2H2,(H,7,9)(H,10,11)/t5-/m1/s1
InChIKeyMFGNMLDUXIBHKR-RXMQYKEDSA-N
MW162.12 g/mol
LogP-1.54
Rot. Bonds1

About (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid

(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid (PubChem CID 174188026) has the molecular formula C5H7FN2O3 and a molecular weight of 162.12 g/mol. Its IUPAC name is (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid
PubChem CID174188026
Molecular FormulaC5H7FN2O3
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid
SMILESO=C(O)[C@]1(F)NCCNC1=O
InChIInChI=1S/C5H7FN2O3/c6-5(4(10)11)3(9)7-1-2-8-5/h8H,1-2H2,(H,7,9)(H,10,11)/t5-/m1/s1
InChIKeyMFGNMLDUXIBHKR-RXMQYKEDSA-N
XLogP-1.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid?
The IUPAC name of (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid (CID 174188026) is (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid is O=C(O)[C@]1(F)NCCNC1=O.
What is the InChIKey of (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid?
The InChIKey is MFGNMLDUXIBHKR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H7FN2O3/c6-5(4(10)11)3(9)7-1-2-8-5/h8H,1-2H2,(H,7,9)(H,10,11)/t5-/m1/s1.
What are the key properties of (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid?
(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid has a molecular weight of 162.12 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 174188026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).