3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide

C10H16N2O2 — CID 106171182

IUPAC3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CC2CC=CC21
InChIInChI=1S/C10H16N2O2/c11-10(14)9(13)5-12-8-4-6-2-1-3-7(6)8/h1,3,6-9,12-13H,2,4-5H2,(H2,11,14)
InChIKeyYDIRBXHYDQVZPG-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.61
Rot. Bonds4

About 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide

3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide (PubChem CID 106171182) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide
PubChem CID106171182
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CC2CC=CC21
InChIInChI=1S/C10H16N2O2/c11-10(14)9(13)5-12-8-4-6-2-1-3-7(6)8/h1,3,6-9,12-13H,2,4-5H2,(H2,11,14)
InChIKeyYDIRBXHYDQVZPG-UHFFFAOYSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide (CID 106171182) is 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide is NC(=O)C(O)CNC1CC2CC=CC21.
What is the InChIKey of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide?
The InChIKey is YDIRBXHYDQVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-10(14)9(13)5-12-8-4-6-2-1-3-7(6)8/h1,3,6-9,12-13H,2,4-5H2,(H2,11,14).
What are the key properties of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide?
3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide has a molecular weight of 196.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106171182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).