2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid

C13H19NO3 — CID 106509245

IUPAC2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
SMILESCc1ccc(C(CN)(CCCO)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-10-3-5-11(6-4-10)13(9-14,12(16)17)7-2-8-15/h3-6,15H,2,7-9,14H2,1H3,(H,16,17)
InChIKeySKODXBZFKKBBMC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.05
Rot. Bonds6

About 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid

2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid (PubChem CID 106509245) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
PubChem CID106509245
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
SMILESCc1ccc(C(CN)(CCCO)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-10-3-5-11(6-4-10)13(9-14,12(16)17)7-2-8-15/h3-6,15H,2,7-9,14H2,1H3,(H,16,17)
InChIKeySKODXBZFKKBBMC-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfonylbutanoic acid
CID 106509272
2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
CID 106490906
2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
CID 106509251
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
2-(aminomethyl)-6-methyl-2-(3-methylphenyl)heptanoic acid
CID 106490782
2-(aminomethyl)-2-(4-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 106490929
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid (CID 106509245) is 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid is Cc1ccc(C(CN)(CCCO)C(=O)O)cc1.
What is the InChIKey of 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid?
The InChIKey is SKODXBZFKKBBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-3-5-11(6-4-10)13(9-14,12(16)17)7-2-8-15/h3-6,15H,2,7-9,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid?
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid is sourced from PubChem (CID 106509245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).