2-(aminomethyl)-5-phenylhexanoic acid

C13H19NO2 — CID 69269519

IUPAC2-(aminomethyl)-5-phenylhexanoic acid
SMILESCC(CCC(CN)C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(11-5-3-2-4-6-11)7-8-12(9-14)13(15)16/h2-6,10,12H,7-9,14H2,1H3,(H,15,16)
InChIKeyFHPQULKSZPBJNP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.23
Rot. Bonds6

About 2-(aminomethyl)-5-phenylhexanoic acid

2-(aminomethyl)-5-phenylhexanoic acid (PubChem CID 69269519) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(aminomethyl)-5-phenylhexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-phenylhexanoic acid
PubChem CID69269519
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(aminomethyl)-5-phenylhexanoic acid
SMILESCC(CCC(CN)C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(11-5-3-2-4-6-11)7-8-12(9-14)13(15)16/h2-6,10,12H,7-9,14H2,1H3,(H,15,16)
InChIKeyFHPQULKSZPBJNP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid
CID 139389936
[(3R)-3-phenylbutyl] acetate
CID 12598598
2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
CID 69269941
1-methyl-6-phenylheptane-1,2,3-tricarboxylic acid
CID 140940953
2-(aminomethyl)-5,6-dimethylheptanoic acid
CID 142907975
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid
CID 118561459
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438
2-amino-4-phenylpentanoic acid;hydrochloride
CID 70445326
2-ethoxycarbonyl-7-phenyloctanoic acid
CID 54027048

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-phenylhexanoic acid?
The IUPAC name of 2-(aminomethyl)-5-phenylhexanoic acid (CID 69269519) is 2-(aminomethyl)-5-phenylhexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-phenylhexanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-phenylhexanoic acid is CC(CCC(CN)C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-phenylhexanoic acid?
The InChIKey is FHPQULKSZPBJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(11-5-3-2-4-6-11)7-8-12(9-14)13(15)16/h2-6,10,12H,7-9,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-5-phenylhexanoic acid?
2-(aminomethyl)-5-phenylhexanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-phenylhexanoic acid is sourced from PubChem (CID 69269519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).