2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid

C21H27NO3 — CID 67789654

IUPAC2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)CCNCC(O)c1ccccc1
InChIInChI=1S/C21H27NO3/c23-20(18-11-5-2-6-12-18)16-22-15-14-19(21(24)25)13-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19-20,22-23H,7,10,13-16H2,(H,24,25)
InChIKeyXEVRZCNLGWVNLO-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.42
Rot. Bonds11

About 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid

2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid (PubChem CID 67789654) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
PubChem CID67789654
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)CCNCC(O)c1ccccc1
InChIInChI=1S/C21H27NO3/c23-20(18-11-5-2-6-12-18)16-22-15-14-19(21(24)25)13-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19-20,22-23H,7,10,13-16H2,(H,24,25)
InChIKeyXEVRZCNLGWVNLO-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.42
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

11-[(2-hydroxy-2-phenylethyl)amino]-2-(2-phenylethyl)undecanoic acid
CID 67815162
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol
CID 143133987
9-[(2-hydroxy-2-phenylethyl)amino]nonyl 4-phenylbutanoate
CID 23352551
8-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-(2-phenylethyl)octanoic acid;(Z)-but-2-enedioic acid
CID 67712800
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
5-phenyl-2-(phosphorosomethyl)pentanoic acid
CID 172849260
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
(2S)-2,5-diphenylpentanoic acid
CID 7054365
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid (CID 67789654) is 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid is O=C(O)C(CCCc1ccccc1)CCNCC(O)c1ccccc1.
What is the InChIKey of 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid?
The InChIKey is XEVRZCNLGWVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c23-20(18-11-5-2-6-12-18)16-22-15-14-19(21(24)25)13-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12,19-20,22-23H,7,10,13-16H2,(H,24,25).
What are the key properties of 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid?
2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid has a molecular weight of 341.45 g/mol, XLogP of 3.42, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 67789654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).