[3-(2-methoxy-2-oxoethyl)-2-pentylcyclopentylidene]amino acetate

• ChemBase ID: 181247
• Molecular Formular: C15H25NO4
• Molecular Mass: 283.3633
• Monoisotopic Mass: 283.17835829
• SMILES: N(=C1C(C(CC(=O)OC)CC1)CCCCC)OC(=O)C
• Canonical SMILES: CCCCCC1C(CCC1=NOC(=O)C)CC(=O)OC
• InChI: InChI=1S/C15H25NO4/c1-4-5-6-7-13-12(10-15(18)19-3)8-9-14(13)16-20-11(2)17/h12-13H,4-10H2,1-3H3
• InChIKey: UOKKDVAEKABFRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxy-2-oxoethyl)-2-pentylcyclopentylidene]amino acetate
• IUPAC Traditional name: [3-(2-methoxy-2-oxoethyl)-2-pentylcyclopentylidene]amino acetate

Database IDs

• PubChem SID: 164237157
• PubChem CID: 4316932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0744216
• LogD (pH = 7.4): 3.0744984
• Log P: 3.0744994
• Molar Refractivity: 75.1822 cm^3
• Polarizability: 29.913042 Å^3
• Polar Surface Area: 64.96 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Z/E & Diastereomers
• Classification: Derivatives & analogs of Natural Compounds