5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid

C16H23F2NO4 — CID 69172597

IUPAC5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)C(CC(O)C(N)COCc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C16H23F2NO4/c1-9(2)13(16(21)22)6-15(20)14(19)8-23-7-10-3-11(17)5-12(18)4-10/h3-5,9,13-15,20H,6-8,19H2,1-2H3,(H,21,22)
InChIKeyOQPGURNYTPPVHV-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.92
Rot. Bonds9

About 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid

5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid (PubChem CID 69172597) has the molecular formula C16H23F2NO4 and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
PubChem CID69172597
Molecular FormulaC16H23F2NO4
Molecular Weight331.36 g/mol
Exact Mass331.16
IUPAC Name5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)C(CC(O)C(N)COCc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C16H23F2NO4/c1-9(2)13(16(21)22)6-15(20)14(19)8-23-7-10-3-11(17)5-12(18)4-10/h3-5,9,13-15,20H,6-8,19H2,1-2H3,(H,21,22)
InChIKeyOQPGURNYTPPVHV-UHFFFAOYSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[[4-fluoro-3-(3-methoxypropoxy)phenyl]methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid
CID 69172594
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
(2S)-2-[[(2S,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)-3-phenylmethoxypropanamide
CID 90996076
(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
[1-(3,5-difluorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate
CID 118878537
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2R,4S,5S)-5-azido-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-methylhexanamide
CID 45277225
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
(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
5-amino-6-[4-[2-(aminomethyl)-5-fluorophenyl]-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-propan-2-ylhexanoic acid
CID 174576383
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
CID 20790193

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
The IUPAC name of 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid (CID 69172597) is 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
The canonical SMILES for 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid is CC(C)C(CC(O)C(N)COCc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
The InChIKey is OQPGURNYTPPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO4/c1-9(2)13(16(21)22)6-15(20)14(19)8-23-7-10-3-11(17)5-12(18)4-10/h3-5,9,13-15,20H,6-8,19H2,1-2H3,(H,21,22).
What are the key properties of 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid?
5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid has a molecular weight of 331.36 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3,5-difluorophenyl)methoxy]-4-hydroxy-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 69172597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).