5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid

C14H21NO3 — CID 115122672

IUPAC5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid
SMILESCc1ccc(C)c(CNCC(O)CCC(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-10-3-4-11(2)12(7-10)8-15-9-13(16)5-6-14(17)18/h3-4,7,13,15-16H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyBUEALTXZRNGTGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds7

About 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid

5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid (PubChem CID 115122672) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid
PubChem CID115122672
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid
SMILESCc1ccc(C)c(CNCC(O)CCC(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-10-3-4-11(2)12(7-10)8-15-9-13(16)5-6-14(17)18/h3-4,7,13,15-16H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyBUEALTXZRNGTGA-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-methylphenyl)methylamino]-4-hydroxypentanoic acid
CID 115122702
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
CID 115630684
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
4-[(2,5-dimethylphenyl)methylamino]-3,3-dimethylbutanoic acid
CID 115220317
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
5-[(4-bromophenyl)methylamino]-4-hydroxypentanoic acid
CID 115122675
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid?
The IUPAC name of 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid (CID 115122672) is 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid is Cc1ccc(C)c(CNCC(O)CCC(=O)O)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid?
The InChIKey is BUEALTXZRNGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-3-4-11(2)12(7-10)8-15-9-13(16)5-6-14(17)18/h3-4,7,13,15-16H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid?
5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid is sourced from PubChem (CID 115122672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).