3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide

C11H18N2O2 — CID 106171180

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H18N2O2/c12-11(15)10(14)6-13-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,13-14H,3-6H2,(H2,12,15)
InChIKeyJKUAJVKHXWOYQT-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.37
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide (PubChem CID 106171180) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide
PubChem CID106171180
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H18N2O2/c12-11(15)10(14)6-13-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,13-14H,3-6H2,(H2,12,15)
InChIKeyJKUAJVKHXWOYQT-UHFFFAOYSA-N
XLogP-0.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide (CID 106171180) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide is NC(=O)C(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide?
The InChIKey is JKUAJVKHXWOYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-11(15)10(14)6-13-5-9-4-7-1-2-8(9)3-7/h1-2,7-10,13-14H,3-6H2,(H2,12,15).
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide has a molecular weight of 210.28 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106171180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).