3-(aminomethyl)-3-methyl-5-phenylpentanoic acid

C13H19NO2 — CID 66097262

IUPAC3-(aminomethyl)-3-methyl-5-phenylpentanoic acid
SMILESCC(CN)(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C13H19NO2/c1-13(10-14,9-12(15)16)8-7-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3,(H,15,16)
InChIKeyRBTZQGFSPIORLU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.06
Rot. Bonds6

About 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid

3-(aminomethyl)-3-methyl-5-phenylpentanoic acid (PubChem CID 66097262) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-5-phenylpentanoic acid
PubChem CID66097262
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(aminomethyl)-3-methyl-5-phenylpentanoic acid
SMILESCC(CN)(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C13H19NO2/c1-13(10-14,9-12(15)16)8-7-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3,(H,15,16)
InChIKeyRBTZQGFSPIORLU-UHFFFAOYSA-N
XLogP2.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-(4-methoxyphenyl)-3-methylpentanoic acid
CID 66097459
3-(aminomethyl)-5-(1,3-benzodioxol-5-yl)-3-methylpentanoic acid
CID 66096422
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
3,3-dimethyl-15-phenylpentadecanoic acid
CID 2737130
(3S)-3-(aminomethyl)-3-methylheptanoic acid
CID 102044731
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
3-(azepan-1-yl)-3-methyl-5-phenylpentanoic acid
CID 64528496
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
5-methyl-5-(2-phenylethyl)nonadecan-3-one
CID 137378779

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid?
The IUPAC name of 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid (CID 66097262) is 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid?
The canonical SMILES for 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid is CC(CN)(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid?
The InChIKey is RBTZQGFSPIORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(10-14,9-12(15)16)8-7-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid?
3-(aminomethyl)-3-methyl-5-phenylpentanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-5-phenylpentanoic acid is sourced from PubChem (CID 66097262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).