5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid

C14H18N2O4 — CID 43379980

IUPAC5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
SMILESNc1ccc(OCC(=O)N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c15-10-4-5-12(11(8-10)14(18)19)20-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2,(H,18,19)
InChIKeyVSFPVLKHICOPLH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.36
Rot. Bonds4

About 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid

5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 43379980) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
PubChem CID43379980
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
SMILESNc1ccc(OCC(=O)N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c15-10-4-5-12(11(8-10)14(18)19)20-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2,(H,18,19)
InChIKeyVSFPVLKHICOPLH-UHFFFAOYSA-N
XLogP1.36
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.36
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

2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45306729
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
4-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 106954733
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
3-amino-2-[2-(azepan-1-yl)-2-oxoethoxy]benzoic acid
CID 107077561

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid (CID 43379980) is 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid is Nc1ccc(OCC(=O)N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is VSFPVLKHICOPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-10-4-5-12(11(8-10)14(18)19)20-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2,(H,18,19).
What are the key properties of 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 43379980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).