2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid

C16H25NO2 — CID 106489052

IUPAC2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
SMILESCc1cc(C)cc(CC(CN)(CC(C)C)C(=O)O)c1
InChIInChI=1S/C16H25NO2/c1-11(2)8-16(10-17,15(18)19)9-14-6-12(3)5-13(4)7-14/h5-7,11H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyYYKUBNLQGCSGTJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds6

About 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid

2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid (PubChem CID 106489052) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
PubChem CID106489052
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
SMILESCc1cc(C)cc(CC(CN)(CC(C)C)C(=O)O)c1
InChIInChI=1S/C16H25NO2/c1-11(2)8-16(10-17,15(18)19)9-14-6-12(3)5-13(4)7-14/h5-7,11H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyYYKUBNLQGCSGTJ-UHFFFAOYSA-N
XLogP2.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
CID 106489036
2-(aminomethyl)-4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanoic acid
CID 106489071
ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
CID 106488870
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148791
ethyl 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-3-methylbutanoate
CID 106488690
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
methyl 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-methylpropanoate
CID 106487899
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706834
2-(aminomethyl)-2-(2-ethylsulfonylethyl)-4-methylpentanoic acid
CID 106489134

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid (CID 106489052) is 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid is Cc1cc(C)cc(CC(CN)(CC(C)C)C(=O)O)c1.
What is the InChIKey of 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid?
The InChIKey is YYKUBNLQGCSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)8-16(10-17,15(18)19)9-14-6-12(3)5-13(4)7-14/h5-7,11H,8-10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid?
2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid is sourced from PubChem (CID 106489052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).