(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C15H15NO4 — CID 10754708

IUPAC(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(N[C@]1(C(=O)O)[C@H](O)[C@@H]2C=C[C@H]1C2)c1ccccc1
InChIInChI=1S/C15H15NO4/c17-12-10-6-7-11(8-10)15(12,14(19)20)16-13(18)9-4-2-1-3-5-9/h1-7,10-12,17H,8H2,(H,16,18)(H,19,20)/t10-,11+,12-,15+/m1/s1
InChIKeyWMRFERIFGHNGNP-ZAZJYDDPSA-N
MW273.29 g/mol
LogP0.81
Rot. Bonds3

About (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 10754708) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID10754708
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(N[C@]1(C(=O)O)[C@H](O)[C@@H]2C=C[C@H]1C2)c1ccccc1
InChIInChI=1S/C15H15NO4/c17-12-10-6-7-11(8-10)15(12,14(19)20)16-13(18)9-4-2-1-3-5-9/h1-7,10-12,17H,8H2,(H,16,18)(H,19,20)/t10-,11+,12-,15+/m1/s1
InChIKeyWMRFERIFGHNGNP-ZAZJYDDPSA-N
XLogP0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic 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,3R,4R)-2-benzamido-3-ethoxycarbonyloxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 101129508
methyl (1R,2S,3S,4S)-2-benzamido-3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10736424
(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 11823874
2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 85377571
(1S,6R)-1-benzamido-6-hydroxy-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 11346785
(1S,2R,4R,5S)-1-benzamido-2,5-dihydroxy-4-methylcyclohexane-1-carboxylic acid
CID 101111926
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
(4,5-dimethyl-2-tricyclo[6.2.1.02,7]undeca-4,9-dienyl)-phenylmethanone
CID 122581565
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
N-methylbenzamide
CID 11954
N-[1-adamantyl(benzamido)phosphanyl]benzamide
CID 4526338
[(1S,2R,6S,7R)-2-tricyclo[5.2.1.02,6]deca-3,8-dienyl] benzoate
CID 101083449

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 10754708) is (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(N[C@]1(C(=O)O)[C@H](O)[C@@H]2C=C[C@H]1C2)c1ccccc1.
What is the InChIKey of (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is WMRFERIFGHNGNP-ZAZJYDDPSA-N. The full InChI is InChI=1S/C15H15NO4/c17-12-10-6-7-11(8-10)15(12,14(19)20)16-13(18)9-4-2-1-3-5-9/h1-7,10-12,17H,8H2,(H,16,18)(H,19,20)/t10-,11+,12-,15+/m1/s1.
What are the key properties of (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 10754708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).