(3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C6H10FNO3 — CID 154984401

IUPAC(3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](CO)[C@H](F)C1
InChIInChI=1S/C6H10FNO3/c7-5-2-8(6(10)11)1-4(5)3-9/h4-5,9H,1-3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyCVKFLUMBJWVKOK-RFZPGFLSSA-N
MW163.15 g/mol
LogP-0.07
Rot. Bonds1

About (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 154984401) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID154984401
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name(3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](CO)[C@H](F)C1
InChIInChI=1S/C6H10FNO3/c7-5-2-8(6(10)11)1-4(5)3-9/h4-5,9H,1-3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyCVKFLUMBJWVKOK-RFZPGFLSSA-N
XLogP-0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 154984401) is (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1C[C@H](CO)[C@H](F)C1.
What is the InChIKey of (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is CVKFLUMBJWVKOK-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-5-2-8(6(10)11)1-4(5)3-9/h4-5,9H,1-3H2,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 163.15 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154984401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).