5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid

C14H21NO3 — CID 113411730

IUPAC5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
SMILESCC(CO)(NCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(11-16,12-7-3-2-4-8-12)15-10-6-5-9-13(17)18/h2-4,7-8,15-16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyFOVQHGKAVOHHKO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds8

About 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid

5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid (PubChem CID 113411730) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
PubChem CID113411730
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
SMILESCC(CO)(NCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(11-16,12-7-3-2-4-8-12)15-10-6-5-9-13(17)18/h2-4,7-8,15-16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyFOVQHGKAVOHHKO-UHFFFAOYSA-N
XLogP1.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
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-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
N'-hydroxy-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]butanimidamide
CID 105058316
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 115670388
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
CID 103261470
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666
N-cyclopropyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
CID 115619639
5-anilinopentanoic acid
CID 28972030
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid (CID 113411730) is 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid is CC(CO)(NCCCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid?
The InChIKey is FOVQHGKAVOHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(11-16,12-7-3-2-4-8-12)15-10-6-5-9-13(17)18/h2-4,7-8,15-16H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid?
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 113411730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).