2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

C13H18ClNO4 — CID 72915303

IUPAC2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)C(C(=O)O)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClNO4/c1-15(6-7-18-2)12(13(16)17)10-8-9(14)4-5-11(10)19-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyPTIUSBVHRVEZNH-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.05
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (PubChem CID 72915303) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
PubChem CID72915303
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)C(C(=O)O)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClNO4/c1-15(6-7-18-2)12(13(16)17)10-8-9(14)4-5-11(10)19-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyPTIUSBVHRVEZNH-UHFFFAOYSA-N
XLogP2.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (CID 72915303) is 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is COCCN(C)C(C(=O)O)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The InChIKey is PTIUSBVHRVEZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-15(6-7-18-2)12(13(16)17)10-8-9(14)4-5-11(10)19-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid has a molecular weight of 287.74 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is sourced from PubChem (CID 72915303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).