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

C15H23NO3 — CID 65067870

IUPAC4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
SMILESCC(CCc1ccc(O)cc1)N(C)CCCC(=O)O
InChIInChI=1S/C15H23NO3/c1-12(16(2)11-3-4-15(18)19)5-6-13-7-9-14(17)10-8-13/h7-10,12,17H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyFSWMXHRHFPWAPX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.51
Rot. Bonds8

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

4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid (PubChem CID 65067870) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
PubChem CID65067870
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
SMILESCC(CCc1ccc(O)cc1)N(C)CCCC(=O)O
InChIInChI=1S/C15H23NO3/c1-12(16(2)11-3-4-15(18)19)5-6-13-7-9-14(17)10-8-13/h7-10,12,17H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyFSWMXHRHFPWAPX-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid
CID 65058434
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129
4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
CID 107426370
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
3-[4-(3-fluorophenyl)butan-2-yl-methylamino]propanoic acid
CID 122037359
4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
CID 107737053
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid?
The IUPAC name of 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid (CID 65067870) is 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid is CC(CCc1ccc(O)cc1)N(C)CCCC(=O)O.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid?
The InChIKey is FSWMXHRHFPWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(16(2)11-3-4-15(18)19)5-6-13-7-9-14(17)10-8-13/h7-10,12,17H,3-6,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid?
4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid is sourced from PubChem (CID 65067870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).