5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid

C15H20N2O4 — CID 43379931

IUPAC5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
SMILESCC(Oc1ccc(N)cc1C(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O4/c1-10(14(18)17-7-3-2-4-8-17)21-13-6-5-11(16)9-12(13)15(19)20/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,19,20)
InChIKeyGBJMBKBMAMNIFP-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.75
Rot. Bonds4

About 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid

5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid (PubChem CID 43379931) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
PubChem CID43379931
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
SMILESCC(Oc1ccc(N)cc1C(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O4/c1-10(14(18)17-7-3-2-4-8-17)21-13-6-5-11(16)9-12(13)15(19)20/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,19,20)
InChIKeyGBJMBKBMAMNIFP-UHFFFAOYSA-N
XLogP1.75
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 106954912
2-(5-amino-2-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 103009013
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
2-[4-(2-aminoethyl)-2-bromophenoxy]-1-piperidin-1-ylpropan-1-one
CID 63052674
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
The IUPAC name of 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid (CID 43379931) is 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid.
What is the SMILES notation for 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
The canonical SMILES for 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid is CC(Oc1ccc(N)cc1C(=O)O)C(=O)N1CCCCC1.
What is the InChIKey of 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
The InChIKey is GBJMBKBMAMNIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(14(18)17-7-3-2-4-8-17)21-13-6-5-11(16)9-12(13)15(19)20/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid is sourced from PubChem (CID 43379931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).