2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid

C15H19NO5 — CID 119255885

IUPAC2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H19NO5/c17-14(18)10-21-12-5-3-11(4-6-12)7-8-16-15(19)13-2-1-9-20-13/h3-6,13H,1-2,7-10H2,(H,16,19)(H,17,18)
InChIKeyVYYHZMLZOLBCQB-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.99
Rot. Bonds7

About 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid

2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid (PubChem CID 119255885) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
PubChem CID119255885
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H19NO5/c17-14(18)10-21-12-5-3-11(4-6-12)7-8-16-15(19)13-2-1-9-20-13/h3-6,13H,1-2,7-10H2,(H,16,19)(H,17,18)
InChIKeyVYYHZMLZOLBCQB-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-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255944
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541899
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790725
2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255584
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid (CID 119255885) is 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)C2CCCO2)cc1.
What is the InChIKey of 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid?
The InChIKey is VYYHZMLZOLBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)10-21-12-5-3-11(4-6-12)7-8-16-15(19)13-2-1-9-20-13/h3-6,13H,1-2,7-10H2,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid?
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]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-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).