2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid

C20H25NO4 — CID 66528181

IUPAC2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
SMILESCCOc1cc(CNC(C)C(=O)O)ccc1OCc1ccccc1C
InChIInChI=1S/C20H25NO4/c1-4-24-19-11-16(12-21-15(3)20(22)23)9-10-18(19)25-13-17-8-6-5-7-14(17)2/h5-11,15,21H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyGPAYNIDXASIBFV-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.54
Rot. Bonds9

About 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid

2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid (PubChem CID 66528181) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
PubChem CID66528181
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
SMILESCCOc1cc(CNC(C)C(=O)O)ccc1OCc1ccccc1C
InChIInChI=1S/C20H25NO4/c1-4-24-19-11-16(12-21-15(3)20(22)23)9-10-18(19)25-13-17-8-6-5-7-14(17)2/h5-11,15,21H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyGPAYNIDXASIBFV-UHFFFAOYSA-N
XLogP3.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528192
2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propanoic acid
CID 66528203
(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997036
2-[(3,4-diethoxyphenyl)methylamino]-3-hydroxypropanoic acid
CID 82364737
2-[[3-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66528798
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233
(2R)-2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylamino]-3-phenylpropanoic acid
CID 99796468
2-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66530993
3-methyl-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylamino]butanoic acid
CID 66528504
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17291399

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid?
The IUPAC name of 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid (CID 66528181) is 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid?
The canonical SMILES for 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid is CCOc1cc(CNC(C)C(=O)O)ccc1OCc1ccccc1C.
What is the InChIKey of 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid?
The InChIKey is GPAYNIDXASIBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-24-19-11-16(12-21-15(3)20(22)23)9-10-18(19)25-13-17-8-6-5-7-14(17)2/h5-11,15,21H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid?
2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid has a molecular weight of 343.42 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid is sourced from PubChem (CID 66528181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).