5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid

C16H29F2NO3 — CID 70046333

IUPAC5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid
SMILESCC(C)CC(C(=O)O)C(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C16H29F2NO3/c1-10(2)8-12(15(21)22)16(17,18)14(20)13(19)9-11-6-4-3-5-7-11/h10-14,20H,3-9,19H2,1-2H3,(H,21,22)
InChIKeyCQBGEYHCXUMGSI-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.03
Rot. Bonds8

About 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid

5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid (PubChem CID 70046333) has the molecular formula C16H29F2NO3 and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid.

Molecular Properties

Compound Name5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid
PubChem CID70046333
Molecular FormulaC16H29F2NO3
Molecular Weight321.41 g/mol
Exact Mass321.21
IUPAC Name5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid
SMILESCC(C)CC(C(=O)O)C(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C16H29F2NO3/c1-10(2)8-12(15(21)22)16(17,18)14(20)13(19)9-11-6-4-3-5-7-11/h10-14,20H,3-9,19H2,1-2H3,(H,21,22)
InChIKeyCQBGEYHCXUMGSI-UHFFFAOYSA-N
XLogP3.03
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid?
The IUPAC name of 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid (CID 70046333) is 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid.
What is the SMILES notation for 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid?
The canonical SMILES for 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid is CC(C)CC(C(=O)O)C(F)(F)C(O)C(N)CC1CCCCC1.
What is the InChIKey of 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid?
The InChIKey is CQBGEYHCXUMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO3/c1-10(2)8-12(15(21)22)16(17,18)14(20)13(19)9-11-6-4-3-5-7-11/h10-14,20H,3-9,19H2,1-2H3,(H,21,22).
What are the key properties of 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid?
5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid has a molecular weight of 321.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyclohexyl-3,3-difluoro-4-hydroxy-2-(2-methylpropyl)hexanoic acid is sourced from PubChem (CID 70046333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).