2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid

C13H19NO3 — CID 106489362

IUPAC2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
SMILESCOCCCC(CN)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-9-5-8-13(10-14,12(15)16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyWBXYSOAJWOYQJH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds7

About 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid

2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid (PubChem CID 106489362) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
PubChem CID106489362
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
SMILESCOCCCC(CN)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-9-5-8-13(10-14,12(15)16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyWBXYSOAJWOYQJH-UHFFFAOYSA-N
XLogP1.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-5-(2-methoxyethoxy)-2-phenylpentanoic acid
CID 106489358
2-(aminomethyl)-4-(3-methoxypropoxy)-2-phenylbutanoic acid
CID 106489385
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
methyl 2-(aminomethyl)-5-methoxy-2-(3-methylphenyl)pentanoate
CID 106509400
methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
CID 106489227
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid (CID 106489362) is 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid is COCCCC(CN)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid?
The InChIKey is WBXYSOAJWOYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-9-5-8-13(10-14,12(15)16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid?
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid is sourced from PubChem (CID 106489362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).