5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid

C11H19F2NO3 — CID 70065108

IUPAC5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid
SMILESNC1C(CCCCC(=O)O)CCC(F)(F)C1O
InChIInChI=1S/C11H19F2NO3/c12-11(13)6-5-7(9(14)10(11)17)3-1-2-4-8(15)16/h7,9-10,17H,1-6,14H2,(H,15,16)
InChIKeyMZICIKUOFPQNEJ-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.36
Rot. Bonds5

About 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid

5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid (PubChem CID 70065108) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid.

Molecular Properties

Compound Name5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid
PubChem CID70065108
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid
SMILESNC1C(CCCCC(=O)O)CCC(F)(F)C1O
InChIInChI=1S/C11H19F2NO3/c12-11(13)6-5-7(9(14)10(11)17)3-1-2-4-8(15)16/h7,9-10,17H,1-6,14H2,(H,15,16)
InChIKeyMZICIKUOFPQNEJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid
CID 57307550
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
4-(2-amino-3-hydroxycyclohexyl)butanoic acid
CID 163221531
5-[(2S,3S,4R)-3-amino-4-(15N)azanylthiolan-2-yl]pentanoic acid
CID 10104842
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
CID 18377070
7-(2-cyclopropylcyclopropyl)heptanoic acid
CID 85185916
15-(2,2-dichlorocyclohexyl)pentadecanoic acid
CID 54179254
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
13-(2-sulfanylcyclopentyl)tridecanoic acid
CID 87483941
5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
CID 21325432
5-[2,3,4-tris(sulfanyl)cyclohexyl]pentanoic acid
CID 175026049
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid?
The IUPAC name of 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid (CID 70065108) is 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid.
What is the SMILES notation for 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid?
The canonical SMILES for 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid is NC1C(CCCCC(=O)O)CCC(F)(F)C1O.
What is the InChIKey of 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid?
The InChIKey is MZICIKUOFPQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-11(13)6-5-7(9(14)10(11)17)3-1-2-4-8(15)16/h7,9-10,17H,1-6,14H2,(H,15,16).
What are the key properties of 5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid?
5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic 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-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid is sourced from PubChem (CID 70065108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).