5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid

C11H19F2NO3 — CID 67915104

IUPAC5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid
SMILESNC(CC(O)C(F)(F)C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19F2NO3/c12-11(13,10(16)17)9(15)6-8(14)7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17)
InChIKeyMTLIKBFHTXIOMM-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.36
Rot. Bonds5

About 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid

5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid (PubChem CID 67915104) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid
PubChem CID67915104
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid
SMILESNC(CC(O)C(F)(F)C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19F2NO3/c12-11(13,10(16)17)9(15)6-8(14)7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17)
InChIKeyMTLIKBFHTXIOMM-UHFFFAOYSA-N
XLogP1.36
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid?
The IUPAC name of 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid (CID 67915104) is 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid.
What is the SMILES notation for 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid?
The canonical SMILES for 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid is NC(CC(O)C(F)(F)C(=O)O)C1CCCCC1.
What is the InChIKey of 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid?
The InChIKey is MTLIKBFHTXIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-11(13,10(16)17)9(15)6-8(14)7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17).
What are the key properties of 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid?
5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid has a molecular weight of 251.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid is sourced from PubChem (CID 67915104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).