(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid

C19H23NO4 — CID 67001965

IUPAC(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-14(19(22)23)24-17-9-7-15(8-10-17)11-12-20-13-18(21)16-5-3-2-4-6-16/h2-10,14,18,20-21H,11-13H2,1H3,(H,22,23)/t14-,18?/m1/s1
InChIKeyHLUSMAFXENNUTF-IKJXHCRLSA-N
MW329.40 g/mol
LogP2.40
Rot. Bonds9

About (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid

(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid (PubChem CID 67001965) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
PubChem CID67001965
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-14(19(22)23)24-17-9-7-15(8-10-17)11-12-20-13-18(21)16-5-3-2-4-6-16/h2-10,14,18,20-21H,11-13H2,1H3,(H,22,23)/t14-,18?/m1/s1
InChIKeyHLUSMAFXENNUTF-IKJXHCRLSA-N
XLogP2.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid with MolForge

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Related Compounds

(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
CID 67002110
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
2-(2-ethoxyethylsulfanyl)-4-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzoic acid
CID 69103201
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-prop-2-enoxybenzoic acid;hydrochloride
CID 69058621
dimethyl (E)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]anilino]but-2-enedioate
CID 168566177
2-acetamido-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzoic acid;hydrochloride
CID 69103241
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
CID 67789654
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid (CID 67001965) is (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid is C[C@@H](Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid?
The InChIKey is HLUSMAFXENNUTF-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14(19(22)23)24-17-9-7-15(8-10-17)11-12-20-13-18(21)16-5-3-2-4-6-16/h2-10,14,18,20-21H,11-13H2,1H3,(H,22,23)/t14-,18?/m1/s1.
What are the key properties of (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid?
(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid is sourced from PubChem (CID 67001965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).