2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid

C15H23NO3 — CID 139389936

IUPAC2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid
SMILESCC(CCC(CN)C(=O)O)COCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(7-8-14(9-16)15(17)18)10-19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,18)
InChIKeyXJHNYZKGYZZXRN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds9

About 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid

2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid (PubChem CID 139389936) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid
PubChem CID139389936
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid
SMILESCC(CCC(CN)C(=O)O)COCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(7-8-14(9-16)15(17)18)10-19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,18)
InChIKeyXJHNYZKGYZZXRN-UHFFFAOYSA-N
XLogP2.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid
CID 118561459
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
2-(aminomethyl)-5-phenylhexanoic acid
CID 69269519
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
CID 10264907
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid?
The IUPAC name of 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid (CID 139389936) is 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid is CC(CCC(CN)C(=O)O)COCc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid?
The InChIKey is XJHNYZKGYZZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(7-8-14(9-16)15(17)18)10-19-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid?
2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid is sourced from PubChem (CID 139389936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).