2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid

C14H19NO4 — CID 95003278

IUPAC2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNC[C@H]1CCCO1
InChIInChI=1S/C14H19NO4/c16-14(17)10-19-13-6-2-1-4-11(13)8-15-9-12-5-3-7-18-12/h1-2,4,6,12,15H,3,5,7-10H2,(H,16,17)/t12-/m1/s1
InChIKeyWOSGSYLMGHULJX-GFCCVEGCSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds7

About 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid

2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid (PubChem CID 95003278) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
PubChem CID95003278
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNC[C@H]1CCCO1
InChIInChI=1S/C14H19NO4/c16-14(17)10-19-13-6-2-1-4-11(13)8-15-9-12-5-3-7-18-12/h1-2,4,6,12,15H,3,5,7-10H2,(H,16,17)/t12-/m1/s1
InChIKeyWOSGSYLMGHULJX-GFCCVEGCSA-N
XLogP1.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylamino]methyl]benzoic acid
CID 122030533
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990884
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid (CID 95003278) is 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CNC[C@H]1CCCO1.
What is the InChIKey of 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid?
The InChIKey is WOSGSYLMGHULJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4/c16-14(17)10-19-13-6-2-1-4-11(13)8-15-9-12-5-3-7-18-12/h1-2,4,6,12,15H,3,5,7-10H2,(H,16,17)/t12-/m1/s1.
What are the key properties of 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid?
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 95003278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).