2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid

C14H15NO4 — CID 122108484

IUPAC2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2CC23CC3)cc1
InChIInChI=1S/C14H15NO4/c16-12(17)8-19-10-3-1-9(2-4-10)15-13(18)11-7-14(11)5-6-14/h1-4,11H,5-8H2,(H,15,18)(H,16,17)
InChIKeyAJVCWJUMNFXAPO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid

2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid (PubChem CID 122108484) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
PubChem CID122108484
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2CC23CC3)cc1
InChIInChI=1S/C14H15NO4/c16-12(17)8-19-10-3-1-9(2-4-10)15-13(18)11-7-14(11)5-6-14/h1-4,11H,5-8H2,(H,15,18)(H,16,17)
InChIKeyAJVCWJUMNFXAPO-UHFFFAOYSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 122109303
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
CID 3967307
2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
CID 66237709
2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
CID 122107946
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
CID 107175510
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
3-[4-[(6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carbonyl)amino]phenyl]propanoic acid
CID 120687981
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid (CID 122108484) is 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)C2CC23CC3)cc1.
What is the InChIKey of 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid?
The InChIKey is AJVCWJUMNFXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-12(17)8-19-10-3-1-9(2-4-10)15-13(18)11-7-14(11)5-6-14/h1-4,11H,5-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid?
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 122108484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).