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

C15H20N2O4 — CID 106954912

IUPAC4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
SMILESCC(Oc1cc(N)ccc1C(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O4/c1-10(14(18)17-7-3-2-4-8-17)21-13-9-11(16)5-6-12(13)15(19)20/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,19,20)
InChIKeyFCRMQADFLSORDX-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid

4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid (PubChem CID 106954912) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
PubChem CID106954912
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
SMILESCC(Oc1cc(N)ccc1C(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O4/c1-10(14(18)17-7-3-2-4-8-17)21-13-9-11(16)5-6-12(13)15(19)20/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,19,20)
InChIKeyFCRMQADFLSORDX-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 ≤ 500292.33
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

5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
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-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
CID 107675551
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79589771
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
The IUPAC name of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid (CID 106954912) is 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid.
What is the SMILES notation for 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
The canonical SMILES for 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid is CC(Oc1cc(N)ccc1C(=O)O)C(=O)N1CCCCC1.
What is the InChIKey of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
The InChIKey is FCRMQADFLSORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(14(18)17-7-3-2-4-8-17)21-13-9-11(16)5-6-12(13)15(19)20/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,19,20).
What are the key properties of 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid?
4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid has a molecular weight of 292.33 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 4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid is sourced from PubChem (CID 106954912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).