5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid

C13H19NO3 — CID 21074196

IUPAC5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
SMILESCC(O)(CCC(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(17,12(15)16)8-7-11(14)9-10-5-3-2-4-6-10/h2-6,11,17H,7-9,14H2,1H3,(H,15,16)
InChIKeyZVFPSCLGEBSOQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds6

About 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid

5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid (PubChem CID 21074196) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid.

Molecular Properties

Compound Name5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
PubChem CID21074196
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
SMILESCC(O)(CCC(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(17,12(15)16)8-7-11(14)9-10-5-3-2-4-6-10/h2-6,11,17H,7-9,14H2,1H3,(H,15,16)
InChIKeyZVFPSCLGEBSOQL-UHFFFAOYSA-N
XLogP1.17
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-phenylhexan-2-one
CID 90094782
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
CID 77254762
1,4-diphenylbutan-2-amine
CID 60820174
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
5-methoxy-1-phenylpentan-2-amine
CID 62608693

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid?
The IUPAC name of 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid (CID 21074196) is 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid.
What is the SMILES notation for 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid?
The canonical SMILES for 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid is CC(O)(CCC(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid?
The InChIKey is ZVFPSCLGEBSOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(17,12(15)16)8-7-11(14)9-10-5-3-2-4-6-10/h2-6,11,17H,7-9,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid?
5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid is sourced from PubChem (CID 21074196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).