3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid

C15H23NO3 — CID 65067286

IUPAC3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)CCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-11(15(18)19)10-16(3)12(2)4-5-13-6-8-14(17)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyQASNJASBYNHGIY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds7

About 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid

3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid (PubChem CID 65067286) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
PubChem CID65067286
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)CCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-11(15(18)19)10-16(3)12(2)4-5-13-6-8-14(17)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyQASNJASBYNHGIY-UHFFFAOYSA-N
XLogP2.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
CID 65067870
2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
CID 65067442
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid
CID 65058434
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
CID 107426370
2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784
(2S)-2-[acetyl(ethyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54080128
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid (CID 65067286) is 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(C)CCc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid?
The InChIKey is QASNJASBYNHGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(15(18)19)10-16(3)12(2)4-5-13-6-8-14(17)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid?
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65067286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).