2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid

C16H23NO4 — CID 82735547

IUPAC2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid
SMILESCC1OCCC1N(C)CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-12-15(7-9-20-12)17(2)8-10-21-14-5-3-13(4-6-14)11-16(18)19/h3-6,12,15H,7-11H2,1-2H3,(H,18,19)
InChIKeyOGMVEJDNVQOPCU-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.80
Rot. Bonds7

About 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid

2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid (PubChem CID 82735547) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid
PubChem CID82735547
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid
SMILESCC1OCCC1N(C)CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-12-15(7-9-20-12)17(2)8-10-21-14-5-3-13(4-6-14)11-16(18)19/h3-6,12,15H,7-11H2,1-2H3,(H,18,19)
InChIKeyOGMVEJDNVQOPCU-UHFFFAOYSA-N
XLogP1.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid (CID 82735547) is 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid is CC1OCCC1N(C)CCOc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid?
The InChIKey is OGMVEJDNVQOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-15(7-9-20-12)17(2)8-10-21-14-5-3-13(4-6-14)11-16(18)19/h3-6,12,15H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid?
2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 82735547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).