5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid

C20H32FNO6 — CID 69172594

IUPAC5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCOCCCOc1cc(COCC(N)C(O)CC(C(=O)O)C(C)C)ccc1F
InChIInChI=1S/C20H32FNO6/c1-13(2)15(20(24)25)10-18(23)17(22)12-27-11-14-5-6-16(21)19(9-14)28-8-4-7-26-3/h5-6,9,13,15,17-18,23H,4,7-8,10-12,22H2,1-3H3,(H,24,25)
InChIKeyGAUGBIHPMBHDEF-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.19
Rot. Bonds14

About 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid

5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid (PubChem CID 69172594) has the molecular formula C20H32FNO6 and a molecular weight of 401.48 g/mol. Its IUPAC name is 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
PubChem CID69172594
Molecular FormulaC20H32FNO6
Molecular Weight401.48 g/mol
Exact Mass401.22
IUPAC Name5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCOCCCOc1cc(COCC(N)C(O)CC(C(=O)O)C(C)C)ccc1F
InChIInChI=1S/C20H32FNO6/c1-13(2)15(20(24)25)10-18(23)17(22)12-27-11-14-5-6-16(21)19(9-14)28-8-4-7-26-3/h5-6,9,13,15,17-18,23H,4,7-8,10-12,22H2,1-3H3,(H,24,25)
InChIKeyGAUGBIHPMBHDEF-UHFFFAOYSA-N
XLogP2.19
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid 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

5-amino-6-[[4-(4-fluorophenyl)-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanamide
CID 68977730
(2S,4S,5S)-5-amino-6-[[4-(4-fluorophenyl)-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanamide
CID 71019492
5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
CID 69172597
(2S,4S,5S)-5-amino-4-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-[[3-(3-methoxypropoxy)-4-methylphenyl]methoxy]-2-propan-2-ylhexanamide
CID 71019679
(2S,4S,5S)-5-amino-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-6-[[4-(4-fluorophenyl)-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanamide
CID 71019514
5-amino-4-hydroxy-7-[[3-(3-methoxypropoxy)-4-methylphenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 69125889
(4S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 69124922
(2S,4S,5S)-5-amino-N-[(2S,3S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]-4-hydroxy-6-[[3-(3-methoxypropoxy)-4-methylphenyl]methoxy]-2-propan-2-ylhexanamide
CID 145469396
(2S,4S,5S)-5-amino-N-[(2S,3S)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]-4-hydroxy-6-[[3-(3-methoxypropoxy)-4-methylphenyl]methoxy]-2-propan-2-ylhexanamide
CID 25032565
(2S,4S,5S)-5-amino-N-[(2S,3S)-1-(4-chloroanilino)-3-methylpentan-2-yl]-4-hydroxy-6-[[3-(3-methoxypropoxy)-4-methylphenyl]methoxy]-2-propan-2-ylhexanamide
CID 25267999
(2S,4S,5S)-5-amino-N-[(2S,3S)-1-(4-tert-butylanilino)-3-methylpentan-2-yl]-4-hydroxy-6-[[3-(3-methoxypropoxy)-4-methylphenyl]methoxy]-2-propan-2-ylhexanamide
CID 25267654
(2S)-1-[4-fluoro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-amine
CID 125466344

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
The IUPAC name of 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid (CID 69172594) is 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
The canonical SMILES for 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid is COCCCOc1cc(COCC(N)C(O)CC(C(=O)O)C(C)C)ccc1F.
What is the InChIKey of 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
The InChIKey is GAUGBIHPMBHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO6/c1-13(2)15(20(24)25)10-18(23)17(22)12-27-11-14-5-6-16(21)19(9-14)28-8-4-7-26-3/h5-6,9,13,15,17-18,23H,4,7-8,10-12,22H2,1-3H3,(H,24,25).
What are the key properties of 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid has a molecular weight of 401.48 g/mol, XLogP of 2.19, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 69172594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).