3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid

C15H18N2O4 — CID 66371097

IUPAC3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H18N2O4/c18-14(19)11-3-1-2-10(6-11)7-16-15(20)17-8-12-4-5-13(9-17)21-12/h1-3,6,12-13H,4-5,7-9H2,(H,16,20)(H,18,19)
InChIKeyPYQBEUXCPSEFBS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.46
Rot. Bonds3

About 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid

3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid (PubChem CID 66371097) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid
PubChem CID66371097
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H18N2O4/c18-14(19)11-3-1-2-10(6-11)7-16-15(20)17-8-12-4-5-13(9-17)21-12/h1-3,6,12-13H,4-5,7-9H2,(H,16,20)(H,18,19)
InChIKeyPYQBEUXCPSEFBS-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[(3S,5R)-3-hydroxy-5-methylpiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 167957368
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 62930165
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
3-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61200147
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
1-[[3-(ethylcarbamoyl)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122290
4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779
3-chloro-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66371089
4-bromo-3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 107814227

Frequently Asked Questions

What is the IUPAC name of 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid?
The IUPAC name of 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid (CID 66371097) is 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)N2CC3CCC(C2)O3)c1.
What is the InChIKey of 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid?
The InChIKey is PYQBEUXCPSEFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)11-3-1-2-10(6-11)7-16-15(20)17-8-12-4-5-13(9-17)21-12/h1-3,6,12-13H,4-5,7-9H2,(H,16,20)(H,18,19).
What are the key properties of 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid?
3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid is sourced from PubChem (CID 66371097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).