(2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid

C11H16FNO5 — CID 170305446

IUPAC(2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)N1C[C@H](F)C[C@]1(CC1(CO)CC1)C(=O)O
InChIInChI=1S/C11H16FNO5/c12-7-3-11(8(15)16,13(4-7)9(17)18)5-10(6-14)1-2-10/h7,14H,1-6H2,(H,15,16)(H,17,18)/t7-,11+/m1/s1
InChIKeyBRNADIAXPZLHNQ-HQJQHLMTSA-N
MW261.25 g/mol
LogP0.69
Rot. Bonds4

About (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid (PubChem CID 170305446) has the molecular formula C11H16FNO5 and a molecular weight of 261.25 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid
PubChem CID170305446
Molecular FormulaC11H16FNO5
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name(2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)N1C[C@H](F)C[C@]1(CC1(CO)CC1)C(=O)O
InChIInChI=1S/C11H16FNO5/c12-7-3-11(8(15)16,13(4-7)9(17)18)5-10(6-14)1-2-10/h7,14H,1-6H2,(H,15,16)(H,17,18)/t7-,11+/m1/s1
InChIKeyBRNADIAXPZLHNQ-HQJQHLMTSA-N
XLogP0.69
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid (CID 170305446) is (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid is O=C(O)N1C[C@H](F)C[C@]1(CC1(CO)CC1)C(=O)O.
What is the InChIKey of (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is BRNADIAXPZLHNQ-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H16FNO5/c12-7-3-11(8(15)16,13(4-7)9(17)18)5-10(6-14)1-2-10/h7,14H,1-6H2,(H,15,16)(H,17,18)/t7-,11+/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 170305446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).