(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid

C6H11F2NO3 — CID 129452450

IUPAC(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
SMILESNC[C@](O)(CCC(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO3/c7-5(8)6(12,3-9)2-1-4(10)11/h5,12H,1-3,9H2,(H,10,11)/t6-/m1/s1
InChIKeyXYOUJEBVUPJKNB-ZCFIWIBFSA-N
MW183.15 g/mol
LogP-0.19
Rot. Bonds5

About (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid

(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid (PubChem CID 129452450) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
PubChem CID129452450
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
SMILESNC[C@](O)(CCC(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO3/c7-5(8)6(12,3-9)2-1-4(10)11/h5,12H,1-3,9H2,(H,10,11)/t6-/m1/s1
InChIKeyXYOUJEBVUPJKNB-ZCFIWIBFSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic 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 (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
The IUPAC name of (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid (CID 129452450) is (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid.
What is the SMILES notation for (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
The canonical SMILES for (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid is NC[C@](O)(CCC(=O)O)C(F)F.
What is the InChIKey of (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
The InChIKey is XYOUJEBVUPJKNB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11F2NO3/c7-5(8)6(12,3-9)2-1-4(10)11/h5,12H,1-3,9H2,(H,10,11)/t6-/m1/s1.
What are the key properties of (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
(4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid has a molecular weight of 183.15 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid is sourced from PubChem (CID 129452450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).