2-amino-3,5-dimethyl-2-phenylhexanoic acid

C14H21NO2 — CID 175058551

IUPAC2-amino-3,5-dimethyl-2-phenylhexanoic acid
SMILESCC(C)CC(C)C(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-10(2)9-11(3)14(15,13(16)17)12-7-5-4-6-8-12/h4-8,10-11H,9,15H2,1-3H3,(H,16,17)
InChIKeyWZXOOSMFPGNRRI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds5

About 2-amino-3,5-dimethyl-2-phenylhexanoic acid

2-amino-3,5-dimethyl-2-phenylhexanoic acid (PubChem CID 175058551) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-3,5-dimethyl-2-phenylhexanoic acid.

Molecular Properties

Compound Name2-amino-3,5-dimethyl-2-phenylhexanoic acid
PubChem CID175058551
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-3,5-dimethyl-2-phenylhexanoic acid
SMILESCC(C)CC(C)C(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-10(2)9-11(3)14(15,13(16)17)12-7-5-4-6-8-12/h4-8,10-11H,9,15H2,1-3H3,(H,16,17)
InChIKeyWZXOOSMFPGNRRI-UHFFFAOYSA-N
XLogP2.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,3-dimethyl-2-phenylbutanoic acid
CID 143150739
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
CID 142662042
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethyl-2-phenylhexanoic acid?
The IUPAC name of 2-amino-3,5-dimethyl-2-phenylhexanoic acid (CID 175058551) is 2-amino-3,5-dimethyl-2-phenylhexanoic acid.
What is the SMILES notation for 2-amino-3,5-dimethyl-2-phenylhexanoic acid?
The canonical SMILES for 2-amino-3,5-dimethyl-2-phenylhexanoic acid is CC(C)CC(C)C(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-3,5-dimethyl-2-phenylhexanoic acid?
The InChIKey is WZXOOSMFPGNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-11(3)14(15,13(16)17)12-7-5-4-6-8-12/h4-8,10-11H,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3,5-dimethyl-2-phenylhexanoic acid?
2-amino-3,5-dimethyl-2-phenylhexanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethyl-2-phenylhexanoic acid is sourced from PubChem (CID 175058551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).