4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid

C15H17NO4 — CID 119353292

IUPAC4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC3CCC2O3)cc1
InChIInChI=1S/C15H17NO4/c17-14(12-7-11-5-6-13(12)20-11)16-8-9-1-3-10(4-2-9)15(18)19/h1-4,11-13H,5-8H2,(H,16,17)(H,18,19)
InChIKeyGGMRCDYJRFCYHA-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.57
Rot. Bonds4

About 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid

4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid (PubChem CID 119353292) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
PubChem CID119353292
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC3CCC2O3)cc1
InChIInChI=1S/C15H17NO4/c17-14(12-7-11-5-6-13(12)20-11)16-8-9-1-3-10(4-2-9)15(18)19/h1-4,11-13H,5-8H2,(H,16,17)(H,18,19)
InChIKeyGGMRCDYJRFCYHA-UHFFFAOYSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(7-oxabicyclo[2.2.1]heptane-2-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

(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
3-[2-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]benzoic acid
CID 129466556
4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378072
4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid
CID 119165465
(1S,5R,6R)-N-benzyl-3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133140006
(1R,2S,4R)-N-[2-(4-methoxyphenyl)-2-methylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377795
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
N-[(2S)-2-hydroxypropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 130839863
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 171518746
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861

Frequently Asked Questions

What is the IUPAC name of 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid?
The IUPAC name of 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid (CID 119353292) is 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)C2CC3CCC2O3)cc1.
What is the InChIKey of 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid?
The InChIKey is GGMRCDYJRFCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(12-7-11-5-6-13(12)20-11)16-8-9-1-3-10(4-2-9)15(18)19/h1-4,11-13H,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid?
4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid is sourced from PubChem (CID 119353292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).