2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid

C13H16N2O5 — CID 66237709

IUPAC2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
SMILESNC1COCC1C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c14-11-6-19-5-10(11)13(18)15-8-1-3-9(4-2-8)20-7-12(16)17/h1-4,10-11H,5-7,14H2,(H,15,18)(H,16,17)
InChIKeyUKAOUNZGDXAUQY-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid

2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 66237709) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID66237709
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
SMILESNC1COCC1C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c14-11-6-19-5-10(11)13(18)15-8-1-3-9(4-2-8)20-7-12(16)17/h1-4,10-11H,5-7,14H2,(H,15,18)(H,16,17)
InChIKeyUKAOUNZGDXAUQY-UHFFFAOYSA-N
XLogP0.06
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66239409
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
CID 107175510
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
CID 122108484
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 66238833
3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
CID 115339875
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid (CID 66237709) is 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid is NC1COCC1C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is UKAOUNZGDXAUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c14-11-6-19-5-10(11)13(18)15-8-1-3-9(4-2-8)20-7-12(16)17/h1-4,10-11H,5-7,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid?
2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 66237709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).