(6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium

C6H14FN2O2+ — CID 140699932

IUPAC(6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium
SMILESNC(=O)CCC([NH3+])C(O)CF
InChIInChI=1S/C6H13FN2O2/c7-3-5(10)4(8)1-2-6(9)11/h4-5,10H,1-3,8H2,(H2,9,11)/p+1
InChIKeyYKTKEZWKRCALBA-UHFFFAOYSA-O
MW165.19 g/mol
LogP-1.81
Rot. Bonds5

About (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium

(6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium (PubChem CID 140699932) has the molecular formula C6H14FN2O2+ and a molecular weight of 165.19 g/mol. Its IUPAC name is (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium.

Molecular Properties

Compound Name(6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium
PubChem CID140699932
Molecular FormulaC6H14FN2O2+
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name(6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium
SMILESNC(=O)CCC([NH3+])C(O)CF
InChIInChI=1S/C6H13FN2O2/c7-3-5(10)4(8)1-2-6(9)11/h4-5,10H,1-3,8H2,(H2,9,11)/p+1
InChIKeyYKTKEZWKRCALBA-UHFFFAOYSA-O
XLogP-1.81
TPSA90.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-5-hydroxy-4-methylhexanamide
CID 118700037
2-hydroxypentanediamide
CID 559184
(4R)-4,5-dihydroxypentanamide
CID 140573063
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
4-fluoro-4-nitrobutanamide
CID 175092513
5-hydroxy-5-iodopentanamide
CID 131980527
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
2,5-diamino-5-oxopentanoic acid
CID 738
[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
CID 23728613

Frequently Asked Questions

What is the IUPAC name of (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium?
The IUPAC name of (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium (CID 140699932) is (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium.
What is the SMILES notation for (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium?
The canonical SMILES for (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium is NC(=O)CCC([NH3+])C(O)CF.
What is the InChIKey of (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium?
The InChIKey is YKTKEZWKRCALBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13FN2O2/c7-3-5(10)4(8)1-2-6(9)11/h4-5,10H,1-3,8H2,(H2,9,11)/p+1.
What are the key properties of (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium?
(6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium has a molecular weight of 165.19 g/mol, XLogP of -1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-fluoro-2-hydroxy-6-oxohexan-3-yl)azanium is sourced from PubChem (CID 140699932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).