2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid

C19H23NO6 — CID 6604779

IUPAC2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1
InChIInChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m1/s1
InChIKeyMXWICZOXPUWAHY-OAHLLOKOSA-N
MW361.39 g/mol
LogP1.56
Rot. Bonds12

About 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid

2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid (PubChem CID 6604779) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid
PubChem CID6604779
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1
InChIInChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m1/s1
InChIKeyMXWICZOXPUWAHY-OAHLLOKOSA-N
XLogP1.56
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(2-(((2S)-2-Hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide
CID 121877
Cicloprolol
CID 146294
H 87-07
CID 193122
2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate
CID 139597061
Ethyl 4-[(2-hydroxy-3-phenoxypropyl)amino]butanoate
CID 15578575
2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2533627
1-{2-[2-(4-Fluorophenoxy)ethoxy]ethyl}piperazine oxalate
CID 2922713
1-{[2-(2-Biphenylyloxy)ethyl]amino}-2-propanol ethanedioate (salt)
CID 2977357
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide
CID 23724243
Ici 215001
CID 164451
[2-(4-Methoxy-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10518406
Ethyl 3-[(2-hydroxy-3-phenoxypropyl)amino]propanoate
CID 15578573

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid (CID 6604779) is 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid is O=C(O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid?
The InChIKey is MXWICZOXPUWAHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid?
2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid has a molecular weight of 361.39 g/mol, XLogP of 1.56, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid is sourced from PubChem (CID 6604779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).