5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid

C14H21NO2 — CID 62941465

IUPAC5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
SMILESCc1ccc(C(N)CC(C)CC(=O)O)cc1C
InChIInChI=1S/C14H21NO2/c1-9(7-14(16)17)6-13(15)12-5-4-10(2)11(3)8-12/h4-5,8-9,13H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyQQEMTRPHGGJUAZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid

5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid (PubChem CID 62941465) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
PubChem CID62941465
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
SMILESCc1ccc(C(N)CC(C)CC(=O)O)cc1C
InChIInChI=1S/C14H21NO2/c1-9(7-14(16)17)6-13(15)12-5-4-10(2)11(3)8-12/h4-5,8-9,13H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyQQEMTRPHGGJUAZ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
(3R)-3-amino-3-(4-bromo-3-methylphenyl)propanoic acid;hydrochloride
CID 162344228
5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
CID 62942189
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
3-amino-3-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117396464
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
CID 135367196

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid?
The IUPAC name of 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid (CID 62941465) is 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid.
What is the SMILES notation for 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid?
The canonical SMILES for 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid is Cc1ccc(C(N)CC(C)CC(=O)O)cc1C.
What is the InChIKey of 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid?
The InChIKey is QQEMTRPHGGJUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(7-14(16)17)6-13(15)12-5-4-10(2)11(3)8-12/h4-5,8-9,13H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid?
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid is sourced from PubChem (CID 62941465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).