(2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide

C5H10FN3O — CID 141087184

IUPAC(2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H10FN3O/c6-3-1-4(8-2-3)5(7)9-10/h3-4,8,10H,1-2H2,(H2,7,9)/t3-,4-/m0/s1
InChIKeyGVNWEXGMXREHSQ-IMJSIDKUSA-N
MW147.15 g/mol
LogP-0.57
Rot. Bonds1

About (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide

(2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 141087184) has the molecular formula C5H10FN3O and a molecular weight of 147.15 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID141087184
Molecular FormulaC5H10FN3O
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC Name(2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H10FN3O/c6-3-1-4(8-2-3)5(7)9-10/h3-4,8,10H,1-2H2,(H2,7,9)/t3-,4-/m0/s1
InChIKeyGVNWEXGMXREHSQ-IMJSIDKUSA-N
XLogP-0.57
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide (CID 141087184) is (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide is NC(=NO)[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is GVNWEXGMXREHSQ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10FN3O/c6-3-1-4(8-2-3)5(7)9-10/h3-4,8,10H,1-2H2,(H2,7,9)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide?
(2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 147.15 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 141087184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).