2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid

C20H23NO6 — CID 123610718

IUPAC2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCC(N=O)c2cccc(OC)c2)cc1)C(=O)O
InChIInChI=1S/C20H23NO6/c1-3-26-19(20(22)23)11-14-7-9-16(10-8-14)27-13-18(21-24)15-5-4-6-17(12-15)25-2/h4-10,12,18-19H,3,11,13H2,1-2H3,(H,22,23)
InChIKeySYVJOEMFAYZDTM-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.61
Rot. Bonds11

About 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid (PubChem CID 123610718) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid
PubChem CID123610718
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCC(N=O)c2cccc(OC)c2)cc1)C(=O)O
InChIInChI=1S/C20H23NO6/c1-3-26-19(20(22)23)11-14-7-9-16(10-8-14)27-13-18(21-24)15-5-4-6-17(12-15)25-2/h4-10,12,18-19H,3,11,13H2,1-2H3,(H,22,23)
InChIKeySYVJOEMFAYZDTM-UHFFFAOYSA-N
XLogP3.61
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
(2R)-2-ethoxy-N-hydroxy-3-[4-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]propanamide
CID 90468822
(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide
CID 90468978
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
2-ethoxy-3-[4-[2-imino-2-(3-methoxyphenyl)ethoxy]phenyl]propanoic acid
CID 118907133
(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoic acid;ethyl (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
CID 161481427
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-ethoxy-3-phenoxypropanoic acid
CID 63074298
2-ethoxy-3-[3-[3-(4-phenylphenoxy)propoxy]phenyl]propanoic acid
CID 18443601
3-[4-[2-[2-butylsulfanylethyl-(3-methoxyphenoxy)carbonylamino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22232193
2-ethoxy-3-phenylpropanoic acid
CID 54403311

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid (CID 123610718) is 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCC(N=O)c2cccc(OC)c2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid?
The InChIKey is SYVJOEMFAYZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-26-19(20(22)23)11-14-7-9-16(10-8-14)27-13-18(21-24)15-5-4-6-17(12-15)25-2/h4-10,12,18-19H,3,11,13H2,1-2H3,(H,22,23).
What are the key properties of 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid has a molecular weight of 373.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid is sourced from PubChem (CID 123610718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).