azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C8H12N2O4 — CID 13251291

IUPACazane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESN.NC(=O)C1C2C=CC(O2)C1C(=O)O
InChIInChI=1S/C8H9NO4.H3N/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h1-6H,(H2,9,10)(H,11,12);1H3
InChIKeyUTBRKYJEXZKRGY-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.71
Rot. Bonds2

About azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 13251291) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Nameazane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID13251291
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameazane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESN.NC(=O)C1C2C=CC(O2)C1C(=O)O
InChIInChI=1S/C8H9NO4.H3N/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h1-6H,(H2,9,10)(H,11,12);1H3
InChIKeyUTBRKYJEXZKRGY-UHFFFAOYSA-N
XLogP-0.71
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;3-carbamoyl-7-oxabicyclo[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,4R)-3-(dimethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;N-methylmethanamine
CID 49796886
methanamine;(1S,4R)-3-(methylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 49796894
2-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid
CID 245793
3-(4-Carbamoyl-piperidine-1-carbonyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3148335
3-(Prop-2-en-1-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6467376
3-(Trifluoromethylsulfonyloxycarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 141382923
3-Carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 191559
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 305539
Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate
CID 191558
6-Carbamoyl-5-hydroxy-3-cyclohexene-1-carboxylic acid
CID 177840306
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-[[(1,1-dimethylethyl)amino]carbonyl]-
CID 245792
3-(Hexylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3391252

Frequently Asked Questions

What is the IUPAC name of azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 13251291) is azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is N.NC(=O)C1C2C=CC(O2)C1C(=O)O.
What is the InChIKey of azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is UTBRKYJEXZKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4.H3N/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h1-6H,(H2,9,10)(H,11,12);1H3.
What are the key properties of azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 13251291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).