2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid

C19H23NO4 — CID 138600594

IUPAC2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
SMILESCOc1cccc(COc2ccc(CCN(C)CC(=O)O)cc2)c1
InChIInChI=1S/C19H23NO4/c1-20(13-19(21)22)11-10-15-6-8-17(9-7-15)24-14-16-4-3-5-18(12-16)23-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyKLRSKEWAYSYOKI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds9

About 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid

2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid (PubChem CID 138600594) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
PubChem CID138600594
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
SMILESCOc1cccc(COc2ccc(CCN(C)CC(=O)O)cc2)c1
InChIInChI=1S/C19H23NO4/c1-20(13-19(21)22)11-10-15-6-8-17(9-7-15)24-14-16-4-3-5-18(12-16)23-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyKLRSKEWAYSYOKI-UHFFFAOYSA-N
XLogP2.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(3-chlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid;ethane;methyl acetate
CID 144797645
2-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl-methylamino]acetic acid
CID 138600610
2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482370
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
3-amino-4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115241881
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid (CID 138600594) is 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid is COc1cccc(COc2ccc(CCN(C)CC(=O)O)cc2)c1.
What is the InChIKey of 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
The InChIKey is KLRSKEWAYSYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20(13-19(21)22)11-10-15-6-8-17(9-7-15)24-14-16-4-3-5-18(12-16)23-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid?
2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid has a molecular weight of 329.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethyl-methylamino]acetic acid is sourced from PubChem (CID 138600594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).