(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid

C11H19F2NO4 — CID 5287927

IUPAC(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid
SMILESN[C@@H](CC1CCCCC1)C(O)(O)C(F)(F)C(=O)O
InChIInChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1
InChIKeySCJAAMPUNGXRHK-QMMMGPOBSA-N
MW267.27 g/mol
LogP0.68
Rot. Bonds5

About (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid

(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid (PubChem CID 5287927) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid
PubChem CID5287927
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid
SMILESN[C@@H](CC1CCCCC1)C(O)(O)C(F)(F)C(=O)O
InChIInChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1
InChIKeySCJAAMPUNGXRHK-QMMMGPOBSA-N
XLogP0.68
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid?
The IUPAC name of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid (CID 5287927) is (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid?
The canonical SMILES for (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid is N[C@@H](CC1CCCCC1)C(O)(O)C(F)(F)C(=O)O.
What is the InChIKey of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid?
The InChIKey is SCJAAMPUNGXRHK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid?
(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid has a molecular weight of 267.27 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid is sourced from PubChem (CID 5287927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).