2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid

C15H19NO5 — CID 80721764

IUPAC2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C15H19NO5/c17-14(16-9-12-5-3-7-20-12)10-21-13-6-2-1-4-11(13)8-15(18)19/h1-2,4,6,12H,3,5,7-10H2,(H,16,17)(H,18,19)
InChIKeyPNWZNROPNSVAAI-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.99
Rot. Bonds7

About 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid

2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid (PubChem CID 80721764) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
PubChem CID80721764
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C15H19NO5/c17-14(16-9-12-5-3-7-20-12)10-21-13-6-2-1-4-11(13)8-15(18)19/h1-2,4,6,12H,3,5,7-10H2,(H,16,17)(H,18,19)
InChIKeyPNWZNROPNSVAAI-UHFFFAOYSA-N
XLogP0.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylamino]methyl]benzoic acid
CID 122030533
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 146122773
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
2-[2-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 163308884
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid (CID 80721764) is 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid is O=C(O)Cc1ccccc1OCC(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid?
The InChIKey is PNWZNROPNSVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(16-9-12-5-3-7-20-12)10-21-13-6-2-1-4-11(13)8-15(18)19/h1-2,4,6,12H,3,5,7-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid?
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 80721764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).