4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid

C15H23NO3 — CID 82312764

IUPAC4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
SMILESCC(C)c1ccc(C(O)CNCCCC(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)12-5-7-13(8-6-12)14(17)10-16-9-3-4-15(18)19/h5-8,11,14,16-17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyLWUQOMAECZGNPR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds8

About 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid

4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid (PubChem CID 82312764) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
PubChem CID82312764
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
SMILESCC(C)c1ccc(C(O)CNCCCC(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)12-5-7-13(8-6-12)14(17)10-16-9-3-4-15(18)19/h5-8,11,14,16-17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyLWUQOMAECZGNPR-UHFFFAOYSA-N
XLogP2.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]butanoic acid
CID 43473710
4-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312859
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]butanoic acid
CID 82313552
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
4-(2-methylpropylamino)butanoic acid
CID 18071581
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
4-[2-[12-[(2-hydroxy-2-phenylethyl)amino]dodecyl]phenyl]butanoic acid
CID 23352610
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid?
The IUPAC name of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid (CID 82312764) is 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid is CC(C)c1ccc(C(O)CNCCCC(=O)O)cc1.
What is the InChIKey of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid?
The InChIKey is LWUQOMAECZGNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)12-5-7-13(8-6-12)14(17)10-16-9-3-4-15(18)19/h5-8,11,14,16-17H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid?
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid is sourced from PubChem (CID 82312764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).