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

C17H27NO3 — CID 65058434

IUPAC4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)18(12-4-5-17(20)21)14(3)6-7-15-8-10-16(19)11-9-15/h8-11,13-14,19H,4-7,12H2,1-3H3,(H,20,21)
InChIKeyFJBXYOPHQWESJV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.29
Rot. Bonds9

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

4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid (PubChem CID 65058434) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid
PubChem CID65058434
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)18(12-4-5-17(20)21)14(3)6-7-15-8-10-16(19)11-9-15/h8-11,13-14,19H,4-7,12H2,1-3H3,(H,20,21)
InChIKeyFJBXYOPHQWESJV-UHFFFAOYSA-N
XLogP3.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
CID 65067870
2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
CID 107426370
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
4-[1-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058820
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
CID 107737053
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid (CID 65058434) is 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid?
The InChIKey is FJBXYOPHQWESJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)18(12-4-5-17(20)21)14(3)6-7-15-8-10-16(19)11-9-15/h8-11,13-14,19H,4-7,12H2,1-3H3,(H,20,21).
What are the key properties of 4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid?
4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid has a molecular weight of 293.41 g/mol, XLogP of 3.29, 9 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-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).